3,5-双(三氟甲基)苯甲腈
TL;DR: 3,5-双(三氟甲基)苯甲腈 (CAS 27126-93-8) is a chemical compound with molecular formula C9H3F6N and molecular weight 239.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-双(三氟甲基)苯甲腈
3,5-bis(trifluoromethyl)benzonitrile
Also Known As: 3,5-Bis(trifluoromethyl)benzonitrile, fxffr ccn exfff, MBT-CN, 3,5-di(Trifluoromethyl)benzonitrile, Benzonitrile, 3,5-bis(trifluoromethyl)-
| Molecular Formula | C9H3F6N |
|---|---|
| Molecular Weight | 239.02 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.01697 |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 27126-93-8 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C#N |
| InChIKey | CZKHHAOIHXHOSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-双(三氟甲基)苯甲腈 (CAS 27126-93-8), with molecular formula C9H3F6N and molecular weight 239.02 g/mol. IUPAC: 3,5-bis(trifluoromethyl)benzonitrile.
Chemical Property Profile of 3,5-双(三氟甲基)苯甲腈
Property Insights of 3,5-双(三氟甲基)苯甲腈
The XLogP value of 4.0 indicates that 3,5-双(三氟甲基)苯甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 3,5-双(三氟甲基)苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-双(三氟甲基)苯甲腈 has 0 hydrogen bond donor(s) and 7 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 3,5-双(三氟甲基)苯甲腈?
The CAS number of 3,5-双(三氟甲基)苯甲腈 is 27126-93-8.
What is the molecular formula of 3,5-双(三氟甲基)苯甲腈?
The molecular formula of 3,5-双(三氟甲基)苯甲腈 is C9H3F6N.
What is the molecular weight of 3,5-双(三氟甲基)苯甲腈?
The molecular weight of 3,5-双(三氟甲基)苯甲腈 is 239.02 g/mol.
Where can I buy 3,5-双(三氟甲基)苯甲腈?
You can request a quote for 3,5-双(三氟甲基)苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-双(三氟甲基)苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 3,5-双(三氟甲基)苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.