1-(3-Fluorophenyl)cyclohexanecarbonitrile
TL;DR: 1-(3-Fluorophenyl)cyclohexanecarbonitrile (CAS 214262-91-6) is a chemical compound with molecular formula C13H14FN and molecular weight 203.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-fluorophenyl)cyclohexane-1-carbonitrile
Also Known As: 1-(3-FLUOROPHENYL)CYCLOHEXANECARBONITRILE, 1-(3-fluorophenyl)cyclohexane-1-carbonitrile, Cyclohexanecarbonitrile,1-(3-fluorophenyl)-, 1- CYCLOHEXANECARBONITRILE,98, 6-(3-FLUOROPHENYL)CYCLOHEXANECARBONITRILE
| Molecular Formula | C13H14FN |
|---|---|
| Molecular Weight | 203.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.11102 |
| Heavy Atoms | 15 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 214262-91-6 |
|---|---|
| SMILES | C1CCC(CC1)(C#N)C2=CC(=CC=C2)F |
| InChIKey | UOFSKBVHBCPJEQ-UHFFFAOYSA-N |
Product Overview
1-(3-Fluorophenyl)cyclohexanecarbonitrile (CAS 214262-91-6), with molecular formula C13H14FN and molecular weight 203.11 g/mol. IUPAC: 1-(3-fluorophenyl)cyclohexane-1-carbonitrile.
Chemical Property Profile of 1-(3-Fluorophenyl)cyclohexanecarbonitrile
Property Insights of 1-(3-Fluorophenyl)cyclohexanecarbonitrile
The XLogP value of 3.6 indicates that 1-(3-Fluorophenyl)cyclohexanecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 1-(3-Fluorophenyl)cyclohexanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Fluorophenyl)cyclohexanecarbonitrile has 0 hydrogen bond donor(s) and 2 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-(3-Fluorophenyl)cyclohexanecarbonitrile?
The CAS number of 1-(3-Fluorophenyl)cyclohexanecarbonitrile is 214262-91-6.
What is the molecular formula of 1-(3-Fluorophenyl)cyclohexanecarbonitrile?
The molecular formula of 1-(3-Fluorophenyl)cyclohexanecarbonitrile is C13H14FN.
What is the molecular weight of 1-(3-Fluorophenyl)cyclohexanecarbonitrile?
The molecular weight of 1-(3-Fluorophenyl)cyclohexanecarbonitrile is 203.11 g/mol.
Where can I buy 1-(3-Fluorophenyl)cyclohexanecarbonitrile?
You can request a quote for 1-(3-Fluorophenyl)cyclohexanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Fluorophenyl)cyclohexanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Fluorophenyl)cyclohexanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.