Propanoyl fluoride, 3,3,3-trifluoro-2-(trifluoromethyl)-
TL;DR: Propanoyl fluoride, 3,3,3-trifluoro-2-(trifluoromethyl)- (CAS 382-22-9) is a chemical compound with molecular formula C4HF7O and molecular weight 197.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,3-trifluoro-2-(trifluoromethyl)propanoyl fluoride
Also Known As: (CF3)2CHCOF, hexafluoroisobutyryl fluoride, 3,3,3-Trifluoro-2-(trifluoromethyl)propionyl fluoride, Propanoyl fluoride, 3,3,3-trifluoro-2-(trifluoromethyl)-, 3,3,3-trifluoro-2-(trifluoromethyl)propanoyl fluoride
| Molecular Formula | C4HF7O |
|---|---|
| Molecular Weight | 197.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.99156 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 382-22-9 |
|---|---|
| SMILES | C(C(=O)F)(C(F)(F)F)C(F)(F)F |
| InChIKey | PNIDBKALSVNXJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoyl fluoride, 3,3,3-trifluoro-2-(trifluoromethyl)- (CAS 382-22-9), with molecular formula C4HF7O and molecular weight 197.99 g/mol. IUPAC: 3,3,3-trifluoro-2-(trifluoromethyl)propanoyl fluoride.
Chemical Property Profile of Propanoyl fluoride, 3,3,3-trifluoro-2-(trifluoromethyl)-
Property Insights of Propanoyl fluoride, 3,3,3-trifluoro-2-(trifluoromethyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoyl fluoride, 3,3,3-trifluoro-2-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 17.1 Ų, Propanoyl fluoride, 3,3,3-trifluoro-2-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoyl fluoride, 3,3,3-trifluoro-2-(trifluoromethyl)- has 0 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 Propanoyl fluoride, 3,3,3-trifluoro-2-(trifluoromethyl)-?
The CAS number of Propanoyl fluoride, 3,3,3-trifluoro-2-(trifluoromethyl)- is 382-22-9.
What is the molecular formula of Propanoyl fluoride, 3,3,3-trifluoro-2-(trifluoromethyl)-?
The molecular formula of Propanoyl fluoride, 3,3,3-trifluoro-2-(trifluoromethyl)- is C4HF7O.
What is the molecular weight of Propanoyl fluoride, 3,3,3-trifluoro-2-(trifluoromethyl)-?
The molecular weight of Propanoyl fluoride, 3,3,3-trifluoro-2-(trifluoromethyl)- is 197.99 g/mol.
Where can I buy Propanoyl fluoride, 3,3,3-trifluoro-2-(trifluoromethyl)-?
You can request a quote for Propanoyl fluoride, 3,3,3-trifluoro-2-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoyl fluoride, 3,3,3-trifluoro-2-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Propanoyl fluoride, 3,3,3-trifluoro-2-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.