5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine

C25H31F4N — CID 19765398

IUPAC5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine
SMILESCCCCCC1CCC(C(C)c2ccc(-c3ccc(C(F)(F)F)nc3)c(F)c2)CC1
InChIInChI=1S/C25H31F4N/c1-3-4-5-6-18-7-9-19(10-8-18)17(2)20-11-13-22(23(26)15-20)21-12-14-24(30-16-21)25(27,28)29/h11-19H,3-10H2,1-2H3
InChIKeyZHOMPRLEUDIVOG-UHFFFAOYSA-N
MW421.52 g/mol
LogP8.40
Rot. Bonds7

About 5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine

5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine (PubChem CID 19765398) has the molecular formula C25H31F4N and a molecular weight of 421.52 g/mol. Its IUPAC name is 5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine
PubChem CID19765398
Molecular FormulaC25H31F4N
Molecular Weight421.52 g/mol
Exact Mass421.24
IUPAC Name5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine
SMILESCCCCCC1CCC(C(C)c2ccc(-c3ccc(C(F)(F)F)nc3)c(F)c2)CC1
InChIInChI=1S/C25H31F4N/c1-3-4-5-6-18-7-9-19(10-8-18)17(2)20-11-13-22(23(26)15-20)21-12-14-24(30-16-21)25(27,28)29/h11-19H,3-10H2,1-2H3
InChIKeyZHOMPRLEUDIVOG-UHFFFAOYSA-N
XLogP8.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine
CID 19765365
2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 19765579
5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine
CID 19765560
1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139708745
4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol
CID 19846809
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine
CID 67688098
2-chloro-4-(3,4-difluorophenyl)-1-[1-(4-pentylcyclohexyl)ethyl]benzene
CID 54366134
5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine
CID 67786067
1-(4-ethylphenyl)-2,3-difluoro-4-[1-(4-octylcyclohexyl)ethyl]benzene
CID 67895843
2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139708948
5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine
CID 19765470

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine (CID 19765398) is 5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine is CCCCCC1CCC(C(C)c2ccc(-c3ccc(C(F)(F)F)nc3)c(F)c2)CC1.
What is the InChIKey of 5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine?
The InChIKey is ZHOMPRLEUDIVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F4N/c1-3-4-5-6-18-7-9-19(10-8-18)17(2)20-11-13-22(23(26)15-20)21-12-14-24(30-16-21)25(27,28)29/h11-19H,3-10H2,1-2H3.
What are the key properties of 5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine?
5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine has a molecular weight of 421.52 g/mol, XLogP of 8.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 19765398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).