5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine

C23H34F3N — CID 67786067

IUPAC5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine
SMILESCCCCCC1CCC(C2CCC(c3ccc(C(F)(F)F)nc3)CC2)CC1
InChIInChI=1S/C23H34F3N/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(27-16-21)23(24,25)26/h14-20H,2-13H2,1H3
InChIKeyJNRNLWROHODMHE-UHFFFAOYSA-N
MW381.53 g/mol
LogP7.76
Rot. Bonds6

About 5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine

5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine (PubChem CID 67786067) has the molecular formula C23H34F3N and a molecular weight of 381.53 g/mol. Its IUPAC name is 5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine
PubChem CID67786067
Molecular FormulaC23H34F3N
Molecular Weight381.53 g/mol
Exact Mass381.26
IUPAC Name5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine
SMILESCCCCCC1CCC(C2CCC(c3ccc(C(F)(F)F)nc3)CC2)CC1
InChIInChI=1S/C23H34F3N/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(27-16-21)23(24,25)26/h14-20H,2-13H2,1H3
InChIKeyJNRNLWROHODMHE-UHFFFAOYSA-N
XLogP7.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.53
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine
CID 67786062
5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine
CID 19765742
5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine
CID 19765470
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 14985198
5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine
CID 19765365
1-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 18605125
4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline
CID 70180506
1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
CID 57132254
2-(difluoromethoxy)-5-(4-pentylcyclohexyl)pyridine
CID 19765356
1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene
CID 139763396
1-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 139763400
pentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane
CID 54316605

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine (CID 67786067) is 5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine is CCCCCC1CCC(C2CCC(c3ccc(C(F)(F)F)nc3)CC2)CC1.
What is the InChIKey of 5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine?
The InChIKey is JNRNLWROHODMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F3N/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(27-16-21)23(24,25)26/h14-20H,2-13H2,1H3.
What are the key properties of 5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine?
5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine has a molecular weight of 381.53 g/mol, XLogP of 7.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 67786067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).