Benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate
TL;DR: Benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate (CAS 340139-33-5) is a chemical compound with molecular formula C12H7F9O2 and molecular weight 354.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate
Also Known As: Benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate, benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate (e
| Molecular Formula | C12H7F9O2 |
|---|---|
| Molecular Weight | 354.03 g/mol |
| LogP | 4.4031 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.03024 |
| Heavy Atoms | 23 |
| Complexity | 506.3412 |
Chemical Identifiers
| CAS Number | 340139-33-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F |
Product Overview
Benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate (CAS 340139-33-5), with molecular formula C12H7F9O2 and molecular weight 354.03 g/mol. IUPAC: benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate.
Chemical Property Profile of Benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate
Property Insights of Benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate
The XLogP value of 4.4031 indicates that Benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate has 0 hydrogen bond donor(s) and 2 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 Benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate?
The CAS number of Benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate is 340139-33-5.
What is the molecular formula of Benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate?
The molecular formula of Benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate is C12H7F9O2.
What is the molecular weight of Benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate?
The molecular weight of Benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate is 354.03 g/mol.
Where can I buy Benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate?
You can request a quote for Benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.