3-(3-(三氟甲基)苯基)丙烯腈
TL;DR: 3-(3-(三氟甲基)苯基)丙烯腈 (CAS 58177-61-0) is a chemical compound with molecular formula C10H6F3N and molecular weight 197.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-(三氟甲基)苯基)丙烯腈
3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
Also Known As: 3-(TRIFLUOROMETHYL)CINNAMONITRILE, 3-(3-(Trifluoromethyl)phenyl)acrylonitrile, (Z)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile, 3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile, 2-Propenenitrile, 3-[3-(trifluoromethyl)phenyl]
| Molecular Formula | C10H6F3N |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.04523 |
| Heavy Atoms | 14 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 58177-61-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C=CC#N |
| InChIKey | AQKTWIMZLCJHDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-(三氟甲基)苯基)丙烯腈 (CAS 58177-61-0), with molecular formula C10H6F3N and molecular weight 197.05 g/mol. IUPAC: 3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile.
Chemical Property Profile of 3-(3-(三氟甲基)苯基)丙烯腈
Property Insights of 3-(3-(三氟甲基)苯基)丙烯腈
The XLogP value of 3.0 indicates that 3-(3-(三氟甲基)苯基)丙烯腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 3-(3-(三氟甲基)苯基)丙烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-(三氟甲基)苯基)丙烯腈 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 3-(3-(三氟甲基)苯基)丙烯腈?
The CAS number of 3-(3-(三氟甲基)苯基)丙烯腈 is 58177-61-0.
What is the molecular formula of 3-(3-(三氟甲基)苯基)丙烯腈?
The molecular formula of 3-(3-(三氟甲基)苯基)丙烯腈 is C10H6F3N.
What is the molecular weight of 3-(3-(三氟甲基)苯基)丙烯腈?
The molecular weight of 3-(3-(三氟甲基)苯基)丙烯腈 is 197.05 g/mol.
Where can I buy 3-(3-(三氟甲基)苯基)丙烯腈?
You can request a quote for 3-(3-(三氟甲基)苯基)丙烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-(三氟甲基)苯基)丙烯腈?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-(三氟甲基)苯基)丙烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.