4-(Trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
TL;DR: 4-(Trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile (CAS 913983-25-2) is a chemical compound with molecular formula C7H7F3N2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine-5-carbonitrile
Also Known As: 4-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile, 3-Cyano-4-trifluoromethyl-1,4,5,6-tetrahydropyridine, 0482AF, 4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine-5-carbonitrile, 4-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile, 3-Cyano-4-trifluoromethyl-1,4,5,6-tetrahydropyridine, 845866-48-0, AC1MBX4C, MolPort-000-153-740, AKOS006295341, RP09082, 3-Cyano-4-trifluoromethyl-1,4,5,6-, FT-0685039, 4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine-5-carbonitrile
| Molecular Formula | C7H7F3N2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 1.56568 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.05614 |
| Heavy Atoms | 12 |
| Complexity | 236.0165 |
Chemical Identifiers
| CAS Number | 913983-25-2 |
|---|---|
| SMILES | C1CNC=C(C1C(F)(F)F)C#N |
Product Overview
4-(Trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile (CAS 913983-25-2), with molecular formula C7H7F3N2 and molecular weight 176.06 g/mol. IUPAC: 4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine-5-carbonitrile.
Chemical Property Profile of 4-(Trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
Property Insights of 4-(Trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
The XLogP value of 1.56568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile. With a topological polar surface area (TPSA) of 35.82 Ų, 4-(Trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile has 1 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 4-(Trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The CAS number of 4-(Trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile is 913983-25-2.
What is the molecular formula of 4-(Trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The molecular formula of 4-(Trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile is C7H7F3N2.
What is the molecular weight of 4-(Trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The molecular weight of 4-(Trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile is 176.06 g/mol.
Where can I buy 4-(Trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile?
You can request a quote for 4-(Trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.