1,1,1,3,3,3-Hexafluoropropan-2-yl benzoate
TL;DR: 1,1,1,3,3,3-Hexafluoropropan-2-yl benzoate (CAS 10315-85-2) is a chemical compound with molecular formula C10H6F6O2 and molecular weight 272.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,3,3,3-hexafluoropropan-2-yl benzoate
Also Known As: 1,1,1,3,3,3-Hexafluoroisopropyl benzoate, 1,1,1,3,3,3-hexafluoropropan-2-yl benzoate, hexafluoroisopropyl benzoate, 2H-Perfluoroisopropyl benzoate, 2H-Perfluoroisopropyl benzoate 97%
| Molecular Formula | C10H6F6O2 |
|---|---|
| Molecular Weight | 272.03 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0272 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 10315-85-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC(C(F)(F)F)C(F)(F)F |
| InChIKey | NHVPGKSKRBHDGH-UHFFFAOYSA-N |
Product Overview
1,1,1,3,3,3-Hexafluoropropan-2-yl benzoate (CAS 10315-85-2), with molecular formula C10H6F6O2 and molecular weight 272.03 g/mol. IUPAC: 1,1,1,3,3,3-hexafluoropropan-2-yl benzoate.
Chemical Property Profile of 1,1,1,3,3,3-Hexafluoropropan-2-yl benzoate
Property Insights of 1,1,1,3,3,3-Hexafluoropropan-2-yl benzoate
The XLogP value of 4.7 indicates that 1,1,1,3,3,3-Hexafluoropropan-2-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1,1,1,3,3,3-Hexafluoropropan-2-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,3,3,3-Hexafluoropropan-2-yl benzoate 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 1,1,1,3,3,3-Hexafluoropropan-2-yl benzoate?
The CAS number of 1,1,1,3,3,3-Hexafluoropropan-2-yl benzoate is 10315-85-2.
What is the molecular formula of 1,1,1,3,3,3-Hexafluoropropan-2-yl benzoate?
The molecular formula of 1,1,1,3,3,3-Hexafluoropropan-2-yl benzoate is C10H6F6O2.
What is the molecular weight of 1,1,1,3,3,3-Hexafluoropropan-2-yl benzoate?
The molecular weight of 1,1,1,3,3,3-Hexafluoropropan-2-yl benzoate is 272.03 g/mol.
Where can I buy 1,1,1,3,3,3-Hexafluoropropan-2-yl benzoate?
You can request a quote for 1,1,1,3,3,3-Hexafluoropropan-2-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,3,3,3-Hexafluoropropan-2-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,3,3,3-Hexafluoropropan-2-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.