1,1,1-Trifluoro-3-phenyl-2-propanone
TL;DR: 1,1,1-Trifluoro-3-phenyl-2-propanone (CAS 39751-84-3) is a chemical compound with molecular formula C9H7F3O and molecular weight 188.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-3-phenylpropan-2-one
Also Known As: 1,1,1-trifluoro-3-phenylpropan-2-one, 3-Phenyl-1,1,1-Trifluoropropan-2-One, 1,1,1-trifluoro-3-phenylacetone, 1,1,1-Trifluoro-3-phenyl-2-propanone, Trifluoromethylbenzyl ketone
| Molecular Formula | C9H7F3O |
|---|---|
| Molecular Weight | 188.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.0449 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 39751-84-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)C(F)(F)F |
| InChIKey | IAJKTOIWQHTZOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Trifluoro-3-phenyl-2-propanone (CAS 39751-84-3), with molecular formula C9H7F3O and molecular weight 188.04 g/mol. IUPAC: 1,1,1-trifluoro-3-phenylpropan-2-one.
Chemical Property Profile of 1,1,1-Trifluoro-3-phenyl-2-propanone
Property Insights of 1,1,1-Trifluoro-3-phenyl-2-propanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-3-phenyl-2-propanone. With a topological polar surface area (TPSA) of 17.1 Ų, 1,1,1-Trifluoro-3-phenyl-2-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-3-phenyl-2-propanone has 0 hydrogen bond donor(s) and 4 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-Trifluoro-3-phenyl-2-propanone?
The CAS number of 1,1,1-Trifluoro-3-phenyl-2-propanone is 39751-84-3.
What is the molecular formula of 1,1,1-Trifluoro-3-phenyl-2-propanone?
The molecular formula of 1,1,1-Trifluoro-3-phenyl-2-propanone is C9H7F3O.
What is the molecular weight of 1,1,1-Trifluoro-3-phenyl-2-propanone?
The molecular weight of 1,1,1-Trifluoro-3-phenyl-2-propanone is 188.04 g/mol.
Where can I buy 1,1,1-Trifluoro-3-phenyl-2-propanone?
You can request a quote for 1,1,1-Trifluoro-3-phenyl-2-propanone 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-Trifluoro-3-phenyl-2-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-3-phenyl-2-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.