Heptafluorobutyroyl fluoride
TL;DR: Heptafluorobutyroyl fluoride (CAS 335-42-2) is a chemical compound with molecular formula C4F8O and molecular weight 215.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,4,4,4-heptafluorobutanoyl fluoride
Also Known As: Heptafluorobutyryl fluoride, Heptafluorobutanoyl fluoride, Perfluorobutyryl fluoride, Butanoyl fluoride, heptafluoro-, Octafluorobutan-1-one
| Molecular Formula | C4F8O |
|---|---|
| Molecular Weight | 215.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.98215 |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 335-42-2 |
|---|---|
| SMILES | C(=O)(C(C(C(F)(F)F)(F)F)(F)F)F |
| InChIKey | YYXWJNBPHDUWJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptafluorobutyroyl fluoride (CAS 335-42-2), with molecular formula C4F8O and molecular weight 215.98 g/mol. IUPAC: 2,2,3,3,4,4,4-heptafluorobutanoyl fluoride.
Chemical Property Profile of Heptafluorobutyroyl fluoride
Property Insights of Heptafluorobutyroyl fluoride
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptafluorobutyroyl fluoride. With a topological polar surface area (TPSA) of 17.1 Ų, Heptafluorobutyroyl fluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptafluorobutyroyl fluoride has 0 hydrogen bond donor(s) and 9 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 Heptafluorobutyroyl fluoride?
The CAS number of Heptafluorobutyroyl fluoride is 335-42-2.
What is the molecular formula of Heptafluorobutyroyl fluoride?
The molecular formula of Heptafluorobutyroyl fluoride is C4F8O.
What is the molecular weight of Heptafluorobutyroyl fluoride?
The molecular weight of Heptafluorobutyroyl fluoride is 215.98 g/mol.
Where can I buy Heptafluorobutyroyl fluoride?
You can request a quote for Heptafluorobutyroyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptafluorobutyroyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for Heptafluorobutyroyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.