2-(4-fluorophenyl)-5-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]pyridine

C22H26FN — CID 19094961

IUPAC2-(4-fluorophenyl)-5-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]pyridine
SMILESC/C=C/C1CCC(CCc2ccc(-c3ccc(F)cc3)nc2)CC1
InChIInChI=1S/C22H26FN/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-15-22(24-16-19)20-11-13-21(23)14-12-20/h2-3,10-18H,4-9H2,1H3/b3-2+
InChIKeyNPXDXMIFDZBGOV-NSCUHMNNSA-N
MW323.46 g/mol
LogP6.20
Rot. Bonds5

About 2-(4-fluorophenyl)-5-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]pyridine

2-(4-fluorophenyl)-5-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]pyridine (PubChem CID 19094961) has the molecular formula C22H26FN and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]pyridine
PubChem CID19094961
Molecular FormulaC22H26FN
Molecular Weight323.46 g/mol
Exact Mass323.20
IUPAC Name2-(4-fluorophenyl)-5-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]pyridine
SMILESC/C=C/C1CCC(CCc2ccc(-c3ccc(F)cc3)nc2)CC1
InChIInChI=1S/C22H26FN/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-15-22(24-16-19)20-11-13-21(23)14-12-20/h2-3,10-18H,4-9H2,1H3/b3-2+
InChIKeyNPXDXMIFDZBGOV-NSCUHMNNSA-N
XLogP6.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.46
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[6-(4-chlorophenyl)-3-pyridinyl]ethyl]cyclohexane-1-carbaldehyde
CID 19094948
1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 54416262
1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene
CID 67859119
2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine
CID 18635627
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
5-hexyl-2-[4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]phenyl]pyridine
CID 67786870
1-fluoro-4-[2-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]benzene
CID 19992676
1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene
CID 18656555
1-methyl-4-[2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene
CID 20588787
5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine
CID 18609134
5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424950
5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424953

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-5-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]pyridine (CID 19094961) is 2-(4-fluorophenyl)-5-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-5-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]pyridine is C/C=C/C1CCC(CCc2ccc(-c3ccc(F)cc3)nc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]pyridine?
The InChIKey is NPXDXMIFDZBGOV-NSCUHMNNSA-N. The full InChI is InChI=1S/C22H26FN/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-15-22(24-16-19)20-11-13-21(23)14-12-20/h2-3,10-18H,4-9H2,1H3/b3-2+.
What are the key properties of 2-(4-fluorophenyl)-5-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]pyridine?
2-(4-fluorophenyl)-5-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]pyridine has a molecular weight of 323.46 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]pyridine is sourced from PubChem (CID 19094961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).