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

C24H36F3N — CID 67786062

IUPAC5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine
SMILESCCCCCCC1CCC(C2CCC(c3ccc(C(F)(F)F)nc3)CC2)CC1
InChIInChI=1S/C24H36F3N/c1-2-3-4-5-6-18-7-9-19(10-8-18)20-11-13-21(14-12-20)22-15-16-23(28-17-22)24(25,26)27/h15-21H,2-14H2,1H3
InChIKeyQCKRIDXOYJZBLW-UHFFFAOYSA-N
MW395.55 g/mol
LogP8.15
Rot. Bonds7

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

5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine (PubChem CID 67786062) has the molecular formula C24H36F3N and a molecular weight of 395.55 g/mol. Its IUPAC name is 5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine
PubChem CID67786062
Molecular FormulaC24H36F3N
Molecular Weight395.55 g/mol
Exact Mass395.28
IUPAC Name5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine
SMILESCCCCCCC1CCC(C2CCC(c3ccc(C(F)(F)F)nc3)CC2)CC1
InChIInChI=1S/C24H36F3N/c1-2-3-4-5-6-18-7-9-19(10-8-18)20-11-13-21(14-12-20)22-15-16-23(28-17-22)24(25,26)27/h15-21H,2-14H2,1H3
InChIKeyQCKRIDXOYJZBLW-UHFFFAOYSA-N
XLogP8.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 58.15
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-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine
CID 67786067
5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine
CID 19765742
5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine
CID 19765470
5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine
CID 19765365
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 14985198
4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline
CID 70180506
1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
CID 57132254
1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene
CID 139763396
1-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 139763400
1-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 18605125
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine (CID 67786062) is 5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine is CCCCCCC1CCC(C2CCC(c3ccc(C(F)(F)F)nc3)CC2)CC1.
What is the InChIKey of 5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine?
The InChIKey is QCKRIDXOYJZBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F3N/c1-2-3-4-5-6-18-7-9-19(10-8-18)20-11-13-21(14-12-20)22-15-16-23(28-17-22)24(25,26)27/h15-21H,2-14H2,1H3.
What are the key properties of 5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine?
5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine has a molecular weight of 395.55 g/mol, XLogP of 8.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 67786062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).