1,1,1,4,4,4-Hexafluoro-2-butanone
TL;DR: 1,1,1,4,4,4-Hexafluoro-2-butanone (CAS 400-49-7) is a chemical compound with molecular formula C4H2F6O and molecular weight 180.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,4,4,4-hexafluorobutan-2-one
Also Known As: 1,1,1,4,4,4-hexafluorobutan-2-one, 1,1,1,4,4,4-Hexafluoro-2-butanone, 3H,3H-Perfluoro-2-butanone, 3H,3H-Hexafluor-butan-2-on, 2-Butanone,1,1,1,4,4,4-hexafluoro-
| Molecular Formula | C4H2F6O |
|---|---|
| Molecular Weight | 180.00 g/mol |
| LogP | 2.0702 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.00098 |
| Heavy Atoms | 11 |
| Complexity | 152.94566 |
Chemical Identifiers
| CAS Number | 400-49-7 |
|---|---|
| SMILES | C(C(=O)C(F)(F)F)C(F)(F)F |
Product Overview
1,1,1,4,4,4-Hexafluoro-2-butanone (CAS 400-49-7), with molecular formula C4H2F6O and molecular weight 180.00 g/mol. IUPAC: 1,1,1,4,4,4-hexafluorobutan-2-one.
Chemical Property Profile of 1,1,1,4,4,4-Hexafluoro-2-butanone
Property Insights of 1,1,1,4,4,4-Hexafluoro-2-butanone
The XLogP value of 2.0702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1,4,4,4-Hexafluoro-2-butanone. With a topological polar surface area (TPSA) of 17.07 Ų, 1,1,1,4,4,4-Hexafluoro-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,4,4,4-Hexafluoro-2-butanone has 0 hydrogen bond donor(s) and 1 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 1,1,1,4,4,4-Hexafluoro-2-butanone?
The CAS number of 1,1,1,4,4,4-Hexafluoro-2-butanone is 400-49-7.
What is the molecular formula of 1,1,1,4,4,4-Hexafluoro-2-butanone?
The molecular formula of 1,1,1,4,4,4-Hexafluoro-2-butanone is C4H2F6O.
What is the molecular weight of 1,1,1,4,4,4-Hexafluoro-2-butanone?
The molecular weight of 1,1,1,4,4,4-Hexafluoro-2-butanone is 180.00 g/mol.
Where can I buy 1,1,1,4,4,4-Hexafluoro-2-butanone?
You can request a quote for 1,1,1,4,4,4-Hexafluoro-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,4,4,4-Hexafluoro-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,4,4,4-Hexafluoro-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.