3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one
TL;DR: 3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one (CAS 62693-29-2) is a chemical compound with molecular formula C10H6F3NO2 and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one
Also Known As: 3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one, 2-(trifluoroacetonyl)-benzoxazole, 3-Benzoxazol-2-yl-1,1,1-trifluoroacetone, 2-(2-Oxo-3,3,3-trifluoropropyl)benzoxazole, 3-(2-Benzoxazolyl)-1,1,1-trifluoro-2-propanone
| Molecular Formula | C10H6F3NO2 |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.03506 |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 62693-29-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)CC(=O)C(F)(F)F |
| InChIKey | OWVYBMYMYZKXOR-UHFFFAOYSA-N |
Product Overview
3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one (CAS 62693-29-2), with molecular formula C10H6F3NO2 and molecular weight 229.04 g/mol. IUPAC: 3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one.
Chemical Property Profile of 3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one
Property Insights of 3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one. With a topological polar surface area (TPSA) of 43.1 Ų, 3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one has 0 hydrogen bond donor(s) and 6 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-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one?
The CAS number of 3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one is 62693-29-2.
What is the molecular formula of 3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one?
The molecular formula of 3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one is C10H6F3NO2.
What is the molecular weight of 3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one?
The molecular weight of 3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one is 229.04 g/mol.
Where can I buy 3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one?
You can request a quote for 3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.