2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile

C26H26FN — CID 20603170

IUPAC2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile
SMILESCCCC1CCC(c2ccc3cc(-c4ccc(C#N)c(F)c4)ccc3c2)CC1
InChIInChI=1S/C26H26FN/c1-2-3-18-4-6-19(7-5-18)20-8-9-22-15-23(11-10-21(22)14-20)24-12-13-25(17-28)26(27)16-24/h8-16,18-19H,2-7H2,1H3
InChIKeyCEHAKYBQIYPQBO-UHFFFAOYSA-N
MW371.50 g/mol
LogP7.59
Rot. Bonds4

About 2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile

2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile (PubChem CID 20603170) has the molecular formula C26H26FN and a molecular weight of 371.50 g/mol. Its IUPAC name is 2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile
PubChem CID20603170
Molecular FormulaC26H26FN
Molecular Weight371.50 g/mol
Exact Mass371.20
IUPAC Name2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile
SMILESCCCC1CCC(c2ccc3cc(-c4ccc(C#N)c(F)c4)ccc3c2)CC1
InChIInChI=1S/C26H26FN/c1-2-3-18-4-6-19(7-5-18)20-8-9-22-15-23(11-10-21(22)14-20)24-12-13-25(17-28)26(27)16-24/h8-16,18-19H,2-7H2,1H3
InChIKeyCEHAKYBQIYPQBO-UHFFFAOYSA-N
XLogP7.59
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.50
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile
CID 54734121
4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile
CID 22590745
4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile
CID 139823028
[4-(4-cyano-3-fluorophenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate
CID 102413899
2-fluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzonitrile
CID 54368056
2-fluoro-4-[4-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]ethyl]cyclohexyl]benzonitrile
CID 67859298
4-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-2-fluorobenzonitrile
CID 70382865
2,6-difluoro-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]benzonitrile
CID 102416028
2-fluoro-4-[4-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclohexyl]benzonitrile
CID 139629319
4-[5-(4-ethylcyclohexyl)-2-pyridinyl]-2-fluorobenzonitrile
CID 139818205
2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene
CID 20500274
2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile
CID 139871120

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile?
The IUPAC name of 2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile (CID 20603170) is 2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile is CCCC1CCC(c2ccc3cc(-c4ccc(C#N)c(F)c4)ccc3c2)CC1.
What is the InChIKey of 2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile?
The InChIKey is CEHAKYBQIYPQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN/c1-2-3-18-4-6-19(7-5-18)20-8-9-22-15-23(11-10-21(22)14-20)24-12-13-25(17-28)26(27)16-24/h8-16,18-19H,2-7H2,1H3.
What are the key properties of 2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile?
2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile has a molecular weight of 371.50 g/mol, XLogP of 7.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile is sourced from PubChem (CID 20603170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).