5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine

C24H29F4N — CID 19765365

IUPAC5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine
SMILESCCCCCCC1CCC(c2ccc(-c3ccc(C(F)(F)F)nc3)c(F)c2)CC1
InChIInChI=1S/C24H29F4N/c1-2-3-4-5-6-17-7-9-18(10-8-17)19-11-13-21(22(25)15-19)20-12-14-23(29-16-20)24(26,27)28/h11-18H,2-10H2,1H3
InChIKeyPKFZUYQJPHUSMF-UHFFFAOYSA-N
MW407.50 g/mol
LogP8.15
Rot. Bonds7

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

5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine (PubChem CID 19765365) has the molecular formula C24H29F4N and a molecular weight of 407.50 g/mol. Its IUPAC name is 5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine
PubChem CID19765365
Molecular FormulaC24H29F4N
Molecular Weight407.50 g/mol
Exact Mass407.22
IUPAC Name5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine
SMILESCCCCCCC1CCC(c2ccc(-c3ccc(C(F)(F)F)nc3)c(F)c2)CC1
InChIInChI=1S/C24H29F4N/c1-2-3-4-5-6-17-7-9-18(10-8-17)19-11-13-21(22(25)15-19)20-12-14-23(29-16-20)24(26,27)28/h11-18H,2-10H2,1H3
InChIKeyPKFZUYQJPHUSMF-UHFFFAOYSA-N
XLogP8.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
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

2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine
CID 67688098
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine
CID 19765398
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine
CID 67786062
5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine
CID 67786067
5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine
CID 19765742
2,3-difluoro-1-[4-[2-fluoro-4-(4-heptylcyclohexyl)phenyl]phenyl]-4-propoxybenzene
CID 67730033
2-fluoro-1-[2-fluoro-4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-4-(4-pentylcyclohexyl)benzene
CID 21265293
1-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 67901195
1-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 19906956
2,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]pyridine
CID 67688057

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine (CID 19765365) is 5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine is CCCCCCC1CCC(c2ccc(-c3ccc(C(F)(F)F)nc3)c(F)c2)CC1.
What is the InChIKey of 5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine?
The InChIKey is PKFZUYQJPHUSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F4N/c1-2-3-4-5-6-17-7-9-18(10-8-17)19-11-13-21(22(25)15-19)20-12-14-23(29-16-20)24(26,27)28/h11-18H,2-10H2,1H3.
What are the key properties of 5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine?
5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine has a molecular weight of 407.50 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-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 19765365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).