C9H10ClF3O2
TL;DR: C9H10ClF3O2 (CAS 72748-68-6) is a chemical compound with molecular formula C9H10ClF3O2 and molecular weight 242.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid
Also Known As: EC 614-283-9, cis-3-(2-Chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid, Z-(1R,S)-cis-2,2-dimethyl-3-(2,2-chloro-3,3,3-trifluoro-1-propenyl)cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-prop-1-enyl)-2,2-dimethyl-cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
| Molecular Formula | C9H10ClF3O2 |
|---|---|
| Molecular Weight | 242.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.03214 |
| Heavy Atoms | 15 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 72748-68-6 |
|---|---|
| SMILES | CC1(C(C1C(=O)O)C=C(C(F)(F)F)Cl)C |
| InChIKey | SPVZAYWHHVLPBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C9H10ClF3O2 (CAS 72748-68-6), with molecular formula C9H10ClF3O2 and molecular weight 242.03 g/mol. IUPAC: 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
Chemical Property Profile of C9H10ClF3O2
Property Insights of C9H10ClF3O2
The XLogP value of 3.4 indicates that C9H10ClF3O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, C9H10ClF3O2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C9H10ClF3O2 has 1 hydrogen bond donor(s) and 5 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 C9H10ClF3O2?
The CAS number of C9H10ClF3O2 is 72748-68-6.
What is the molecular formula of C9H10ClF3O2?
The molecular formula of C9H10ClF3O2 is C9H10ClF3O2.
What is the molecular weight of C9H10ClF3O2?
The molecular weight of C9H10ClF3O2 is 242.03 g/mol.
Where can I buy C9H10ClF3O2?
You can request a quote for C9H10ClF3O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C9H10ClF3O2?
Yes, KEHONG BIO provides custom synthesis services for C9H10ClF3O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.