3,5-bis(trifluoromethyl)benzoyl Fluoride
TL;DR: 3,5-bis(trifluoromethyl)benzoyl Fluoride (CAS 401-96-7) is a chemical compound with molecular formula C9H3F7O and molecular weight 260.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(trifluoromethyl)benzoyl fluoride
Also Known As: 3,5-bis(trifluoromethyl)benzoyl Fluoride, 3,5-bis-trifluoromethyl-benzoyl fluoride, 3,5-Bis(trifluoromethyl)benzoyl fluoride, 99%
| Molecular Formula | C9H3F7O |
|---|---|
| Molecular Weight | 260.01 g/mol |
| LogP | 3.8339 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.0072 |
| Heavy Atoms | 17 |
| Complexity | 411.3881 |
Chemical Identifiers
| CAS Number | 401-96-7 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)F |
Product Overview
3,5-bis(trifluoromethyl)benzoyl Fluoride (CAS 401-96-7), with molecular formula C9H3F7O and molecular weight 260.01 g/mol. IUPAC: 3,5-bis(trifluoromethyl)benzoyl fluoride.
Chemical Property Profile of 3,5-bis(trifluoromethyl)benzoyl Fluoride
Property Insights of 3,5-bis(trifluoromethyl)benzoyl Fluoride
The XLogP value of 3.8339 indicates that 3,5-bis(trifluoromethyl)benzoyl Fluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3,5-bis(trifluoromethyl)benzoyl Fluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-bis(trifluoromethyl)benzoyl Fluoride 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 3,5-bis(trifluoromethyl)benzoyl Fluoride?
The CAS number of 3,5-bis(trifluoromethyl)benzoyl Fluoride is 401-96-7.
What is the molecular formula of 3,5-bis(trifluoromethyl)benzoyl Fluoride?
The molecular formula of 3,5-bis(trifluoromethyl)benzoyl Fluoride is C9H3F7O.
What is the molecular weight of 3,5-bis(trifluoromethyl)benzoyl Fluoride?
The molecular weight of 3,5-bis(trifluoromethyl)benzoyl Fluoride is 260.01 g/mol.
Where can I buy 3,5-bis(trifluoromethyl)benzoyl Fluoride?
You can request a quote for 3,5-bis(trifluoromethyl)benzoyl Fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-bis(trifluoromethyl)benzoyl Fluoride?
Yes, KEHONG BIO provides custom synthesis services for 3,5-bis(trifluoromethyl)benzoyl Fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.