2-(3,4-difluorophenyl)-5-[4-[(E)-pent-1-enyl]cyclohexyl]pyridine

C22H25F2N — CID 19094928

IUPAC2-(3,4-difluorophenyl)-5-[4-[(E)-pent-1-enyl]cyclohexyl]pyridine
SMILESCCC/C=C/C1CCC(c2ccc(-c3ccc(F)c(F)c3)nc2)CC1
InChIInChI=1S/C22H25F2N/c1-2-3-4-5-16-6-8-17(9-7-16)19-11-13-22(25-15-19)18-10-12-20(23)21(24)14-18/h4-5,10-17H,2-3,6-9H2,1H3/b5-4+
InChIKeyGVBOQJATADTREU-SNAWJCMRSA-N
MW341.45 g/mol
LogP6.66
Rot. Bonds5

About 2-(3,4-difluorophenyl)-5-[4-[(E)-pent-1-enyl]cyclohexyl]pyridine

2-(3,4-difluorophenyl)-5-[4-[(E)-pent-1-enyl]cyclohexyl]pyridine (PubChem CID 19094928) has the molecular formula C22H25F2N and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-[4-[(E)-pent-1-enyl]cyclohexyl]pyridine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-[4-[(E)-pent-1-enyl]cyclohexyl]pyridine
PubChem CID19094928
Molecular FormulaC22H25F2N
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(3,4-difluorophenyl)-5-[4-[(E)-pent-1-enyl]cyclohexyl]pyridine
SMILESCCC/C=C/C1CCC(c2ccc(-c3ccc(F)c(F)c3)nc2)CC1
InChIInChI=1S/C22H25F2N/c1-2-3-4-5-16-6-8-17(9-7-16)19-11-13-22(25-15-19)18-10-12-20(23)21(24)14-18/h4-5,10-17H,2-3,6-9H2,1H3/b5-4+
InChIKeyGVBOQJATADTREU-SNAWJCMRSA-N
XLogP6.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 56.66
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

2-(3,4-difluorophenyl)-5-(4-pent-1-enylcyclohexyl)pyridine
CID 67823755
2-(4-chloro-3-fluorophenyl)-5-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethynyl]pyridine
CID 19386307
1,2-difluoro-4-[4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 19779944
1,2-difluoro-4-(3-pent-1-enylcyclohexyl)benzene
CID 57091886
4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline
CID 18642462
4-[5-(4-ethylcyclohexyl)-2-pyridinyl]-2-fluorobenzonitrile
CID 139818205
1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
CID 19798866
2-[4-(3,4-difluorophenyl)cyclohexyl]-5-pent-1-enyl-1,3-dioxane
CID 54191136
4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]-1,2-difluorobenzene
CID 19695568
1,2-difluoro-4-[4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19695333
1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene
CID 22915776
1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54039737

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-[4-[(E)-pent-1-enyl]cyclohexyl]pyridine?
The IUPAC name of 2-(3,4-difluorophenyl)-5-[4-[(E)-pent-1-enyl]cyclohexyl]pyridine (CID 19094928) is 2-(3,4-difluorophenyl)-5-[4-[(E)-pent-1-enyl]cyclohexyl]pyridine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-[4-[(E)-pent-1-enyl]cyclohexyl]pyridine?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-[4-[(E)-pent-1-enyl]cyclohexyl]pyridine is CCC/C=C/C1CCC(c2ccc(-c3ccc(F)c(F)c3)nc2)CC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-[4-[(E)-pent-1-enyl]cyclohexyl]pyridine?
The InChIKey is GVBOQJATADTREU-SNAWJCMRSA-N. The full InChI is InChI=1S/C22H25F2N/c1-2-3-4-5-16-6-8-17(9-7-16)19-11-13-22(25-15-19)18-10-12-20(23)21(24)14-18/h4-5,10-17H,2-3,6-9H2,1H3/b5-4+.
What are the key properties of 2-(3,4-difluorophenyl)-5-[4-[(E)-pent-1-enyl]cyclohexyl]pyridine?
2-(3,4-difluorophenyl)-5-[4-[(E)-pent-1-enyl]cyclohexyl]pyridine has a molecular weight of 341.45 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-[4-[(E)-pent-1-enyl]cyclohexyl]pyridine is sourced from PubChem (CID 19094928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).