2-fluoro-4-[4-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile

C24H31F2N — CID 67859298

IUPAC2-fluoro-4-[4-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile
SMILESN#Cc1ccc(C2CCC(CCC3CCC(C/C=C/F)CC3)CC2)cc1F
InChIInChI=1S/C24H31F2N/c25-15-1-2-18-3-5-19(6-4-18)7-8-20-9-11-21(12-10-20)22-13-14-23(17-27)24(26)16-22/h1,13-16,18-21H,2-12H2/b15-1+
InChIKeyUWKJXBUFPFURMZ-JPCFUAGBSA-N
MW371.52 g/mol
LogP7.43
Rot. Bonds6

About 2-fluoro-4-[4-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile

2-fluoro-4-[4-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile (PubChem CID 67859298) has the molecular formula C24H31F2N and a molecular weight of 371.52 g/mol. Its IUPAC name is 2-fluoro-4-[4-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[4-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile
PubChem CID67859298
Molecular FormulaC24H31F2N
Molecular Weight371.52 g/mol
Exact Mass371.24
IUPAC Name2-fluoro-4-[4-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile
SMILESN#Cc1ccc(C2CCC(CCC3CCC(C/C=C/F)CC3)CC2)cc1F
InChIInChI=1S/C24H31F2N/c25-15-1-2-18-3-5-19(6-4-18)7-8-20-9-11-21(12-10-20)22-13-14-23(17-27)24(26)16-22/h1,13-16,18-21H,2-12H2/b15-1+
InChIKeyUWKJXBUFPFURMZ-JPCFUAGBSA-N
XLogP7.43
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-[4-[(E)-4-fluorobut-2-enyl]cyclohexyl]benzonitrile
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2-fluoro-4-[2-[4-(3-fluoroprop-2-enyl)cyclohexyl]ethyl]benzonitrile
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2-fluoro-4-(4-fluorocyclohexyl)benzonitrile
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2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile
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4-[difluoro-[4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]methoxy]-2-fluorobenzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile?
The IUPAC name of 2-fluoro-4-[4-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile (CID 67859298) is 2-fluoro-4-[4-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[4-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[4-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile is N#Cc1ccc(C2CCC(CCC3CCC(C/C=C/F)CC3)CC2)cc1F.
What is the InChIKey of 2-fluoro-4-[4-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile?
The InChIKey is UWKJXBUFPFURMZ-JPCFUAGBSA-N. The full InChI is InChI=1S/C24H31F2N/c25-15-1-2-18-3-5-19(6-4-18)7-8-20-9-11-21(12-10-20)22-13-14-23(17-27)24(26)16-22/h1,13-16,18-21H,2-12H2/b15-1+.
What are the key properties of 2-fluoro-4-[4-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile?
2-fluoro-4-[4-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile has a molecular weight of 371.52 g/mol, XLogP of 7.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile is sourced from PubChem (CID 67859298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).