2-Propanone, 1,1,1,3,3,3-hexafluoro-, semicarbazone
TL;DR: 2-Propanone, 1,1,1,3,3,3-hexafluoro-, semicarbazone (CAS 400-16-8) is a chemical compound with molecular formula C4H3F6N3O and molecular weight 223.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)urea
Also Known As: Hexafluoroacetone semicarbazone, hexafluoro-acetone semicarbazone, 2-Propanone, 1,1,1,3,3,3-hexafluoro-, semicarbazone, 4-03-00-00179 (Beilstein Handbook Reference), (1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)urea
| Molecular Formula | C4H3F6N3O |
|---|---|
| Molecular Weight | 223.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.01804 |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 400-16-8 |
|---|---|
| SMILES | C(=NNC(=O)N)(C(F)(F)F)C(F)(F)F |
| InChIKey | FPFSPORTAGQQRV-UHFFFAOYSA-N |
Product Overview
2-Propanone, 1,1,1,3,3,3-hexafluoro-, semicarbazone (CAS 400-16-8), with molecular formula C4H3F6N3O and molecular weight 223.02 g/mol. IUPAC: (1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)urea.
Chemical Property Profile of 2-Propanone, 1,1,1,3,3,3-hexafluoro-, semicarbazone
Property Insights of 2-Propanone, 1,1,1,3,3,3-hexafluoro-, semicarbazone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanone, 1,1,1,3,3,3-hexafluoro-, semicarbazone. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanone, 1,1,1,3,3,3-hexafluoro-, semicarbazone. Following Lipinski's Rule of Five, 2-Propanone, 1,1,1,3,3,3-hexafluoro-, semicarbazone has 2 hydrogen bond donor(s) and 8 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-Propanone, 1,1,1,3,3,3-hexafluoro-, semicarbazone?
The CAS number of 2-Propanone, 1,1,1,3,3,3-hexafluoro-, semicarbazone is 400-16-8.
What is the molecular formula of 2-Propanone, 1,1,1,3,3,3-hexafluoro-, semicarbazone?
The molecular formula of 2-Propanone, 1,1,1,3,3,3-hexafluoro-, semicarbazone is C4H3F6N3O.
What is the molecular weight of 2-Propanone, 1,1,1,3,3,3-hexafluoro-, semicarbazone?
The molecular weight of 2-Propanone, 1,1,1,3,3,3-hexafluoro-, semicarbazone is 223.02 g/mol.
Where can I buy 2-Propanone, 1,1,1,3,3,3-hexafluoro-, semicarbazone?
You can request a quote for 2-Propanone, 1,1,1,3,3,3-hexafluoro-, semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanone, 1,1,1,3,3,3-hexafluoro-, semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1,1,1,3,3,3-hexafluoro-, semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.