![2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedinitrile structure](/static/products/1022/1022735-10-9.webp)
2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedinitrile
TL;DR: 2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedinitrile (CAS 1022735-10-9) is a chemical compound with molecular formula C13H7F6N3O and molecular weight 335.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedinitrile
Also Known As: 2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedinitrile, (((4-(2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL)PHENYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE, 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedinitrile, 2-[[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxy-propan-2-yl)phenyl]amino]methylidene]propanedinitrile, 2-[[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]anilino]methylene]propanedinitrile
| Molecular Formula | C13H7F6N3O |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 3.34176 |
| Topological Polar Surface Area | 79.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.04932 |
| Heavy Atoms | 23 |
| Complexity | 646.12726 |
Chemical Identifiers
| CAS Number | 1022735-10-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C(F)(F)F)(C(F)(F)F)O)NC=C(C#N)C#N |
Product Overview
2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedinitrile (CAS 1022735-10-9), with molecular formula C13H7F6N3O and molecular weight 335.05 g/mol. IUPAC: 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedinitrile.
Chemical Property Profile of 2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedinitrile
Property Insights of 2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedinitrile
The XLogP value of 3.34176 indicates that 2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedinitrile. Following Lipinski's Rule of Five, 2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedinitrile has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedinitrile?
The CAS number of 2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedinitrile is 1022735-10-9.
What is the molecular formula of 2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedinitrile?
The molecular formula of 2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedinitrile is C13H7F6N3O.
What is the molecular weight of 2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedinitrile?
The molecular weight of 2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedinitrile is 335.05 g/mol.
Where can I buy 2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedinitrile?
You can request a quote for 2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.