2-fluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzonitrile

C24H25F2N — CID 54368056

IUPAC2-fluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(C3CCC(CCCC=CF)CC3)cc2)cc1F
InChIInChI=1S/C24H25F2N/c25-15-3-1-2-4-18-5-7-19(8-6-18)20-9-11-21(12-10-20)22-13-14-23(17-27)24(26)16-22/h3,9-16,18-19H,1-2,4-8H2
InChIKeyUREALVNHDBWVDF-UHFFFAOYSA-N
MW365.47 g/mol
LogP7.29
Rot. Bonds6

About 2-fluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzonitrile

2-fluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzonitrile (PubChem CID 54368056) has the molecular formula C24H25F2N and a molecular weight of 365.47 g/mol. Its IUPAC name is 2-fluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzonitrile
PubChem CID54368056
Molecular FormulaC24H25F2N
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name2-fluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(C3CCC(CCCC=CF)CC3)cc2)cc1F
InChIInChI=1S/C24H25F2N/c25-15-3-1-2-4-18-5-7-19(8-6-18)20-9-11-21(12-10-20)22-13-14-23(17-27)24(26)16-22/h3,9-16,18-19H,1-2,4-8H2
InChIKeyUREALVNHDBWVDF-UHFFFAOYSA-N
XLogP7.29
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 57.29
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

1,2-difluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzene
CID 54546268
1,2-difluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]phenyl]benzene
CID 19798704
2-fluoro-4-[4-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile
CID 67859298
2-fluoro-4-(4-hept-6-enylcyclohexyl)benzonitrile
CID 21292386
2-fluoro-4-[2-[4-[(E)-7-fluorohept-6-enyl]cyclohexyl]ethyl]benzonitrile
CID 19781026
2-fluoro-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]benzonitrile
CID 67748222
2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile
CID 20603170
[4-(4-cyano-3-fluorophenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate
CID 102413899
2-fluoro-4-[4-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile
CID 19798813
1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene
CID 54333398
2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile
CID 54734121
1-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene
CID 19780950

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzonitrile?
The IUPAC name of 2-fluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzonitrile (CID 54368056) is 2-fluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(C3CCC(CCCC=CF)CC3)cc2)cc1F.
What is the InChIKey of 2-fluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzonitrile?
The InChIKey is UREALVNHDBWVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N/c25-15-3-1-2-4-18-5-7-19(8-6-18)20-9-11-21(12-10-20)22-13-14-23(17-27)24(26)16-22/h3,9-16,18-19H,1-2,4-8H2.
What are the key properties of 2-fluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzonitrile?
2-fluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzonitrile has a molecular weight of 365.47 g/mol, XLogP of 7.29, 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-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzonitrile is sourced from PubChem (CID 54368056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).