5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine

C23H30FN — CID 19765560

IUPAC5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine
SMILESCCCCC1CCC(C(C)c2ccc(-c3ccc(F)nc3)cc2)CC1
InChIInChI=1S/C23H30FN/c1-3-4-5-18-6-8-19(9-7-18)17(2)20-10-12-21(13-11-20)22-14-15-23(24)25-16-22/h10-19H,3-9H2,1-2H3
InChIKeyQOSGCKQVCVUBPJ-UHFFFAOYSA-N
MW339.50 g/mol
LogP6.99
Rot. Bonds6

About 5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine

5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine (PubChem CID 19765560) has the molecular formula C23H30FN and a molecular weight of 339.50 g/mol. Its IUPAC name is 5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine.

Molecular Properties

Compound Name5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine
PubChem CID19765560
Molecular FormulaC23H30FN
Molecular Weight339.50 g/mol
Exact Mass339.24
IUPAC Name5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine
SMILESCCCCC1CCC(C(C)c2ccc(-c3ccc(F)nc3)cc2)CC1
InChIInChI=1S/C23H30FN/c1-3-4-5-18-6-8-19(9-7-18)17(2)20-10-12-21(13-11-20)22-14-15-23(24)25-16-22/h10-19H,3-9H2,1-2H3
InChIKeyQOSGCKQVCVUBPJ-UHFFFAOYSA-N
XLogP6.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.50
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 19765579
1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene
CID 19846789
5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine
CID 19765398
1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 19846736
4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol
CID 19846809
3-[4-[1-(4-ethylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine
CID 19765443
(4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine
CID 115854740
2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine
CID 19859506
1-isothiocyanato-4-[1-(4-pentylcyclohexyl)ethyl]benzene
CID 88597674
1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 173303525
2-chloro-4-(3,4-difluorophenyl)-1-[1-(4-pentylcyclohexyl)ethyl]benzene
CID 54366134
4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene
CID 139708761

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine?
The IUPAC name of 5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine (CID 19765560) is 5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine.
What is the SMILES notation for 5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine?
The canonical SMILES for 5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine is CCCCC1CCC(C(C)c2ccc(-c3ccc(F)nc3)cc2)CC1.
What is the InChIKey of 5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine?
The InChIKey is QOSGCKQVCVUBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN/c1-3-4-5-18-6-8-19(9-7-18)17(2)20-10-12-21(13-11-20)22-14-15-23(24)25-16-22/h10-19H,3-9H2,1-2H3.
What are the key properties of 5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine?
5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine has a molecular weight of 339.50 g/mol, XLogP of 6.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine is sourced from PubChem (CID 19765560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).