4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile

C24H28FN — CID 70412326

IUPAC4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile
SMILESCCCC1CCC(c2ccc(CCc3ccc(C#N)cc3)cc2F)CC1
InChIInChI=1S/C24H28FN/c1-2-3-18-10-13-22(14-11-18)23-15-12-20(16-24(23)25)7-4-19-5-8-21(17-26)9-6-19/h5-6,8-9,12,15-16,18,22H,2-4,7,10-11,13-14H2,1H3
InChIKeyXGRTXQNDJSXMEJ-UHFFFAOYSA-N
MW349.49 g/mol
LogP6.56
Rot. Bonds6

About 4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile

4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile (PubChem CID 70412326) has the molecular formula C24H28FN and a molecular weight of 349.49 g/mol. Its IUPAC name is 4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile
PubChem CID70412326
Molecular FormulaC24H28FN
Molecular Weight349.49 g/mol
Exact Mass349.22
IUPAC Name4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile
SMILESCCCC1CCC(c2ccc(CCc3ccc(C#N)cc3)cc2F)CC1
InChIInChI=1S/C24H28FN/c1-2-3-18-10-13-22(14-11-18)23-15-12-20(16-24(23)25)7-4-19-5-8-21(17-26)9-6-19/h5-6,8-9,12,15-16,18,22H,2-4,7,10-11,13-14H2,1H3
InChIKeyXGRTXQNDJSXMEJ-UHFFFAOYSA-N
XLogP6.56
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.49
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[4-(4-butylcyclohexyl)-3-fluorophenyl]ethyl]benzonitrile
CID 70412892
1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 151687811
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18344256
4-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]benzonitrile
CID 15131486
4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile
CID 67894424
2,3-difluoro-1-[2-[4-(2-fluoro-4-pentylphenyl)cyclohexyl]ethenyl]-4-(4-propylcyclohexyl)benzene
CID 77470253
2,3-difluoro-1-[2-[4-(2-fluoro-4-pentylphenyl)cyclohexyl]ethyl]-4-propylbenzene
CID 58141062
2-chloro-1,3-difluoro-5-[2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethyl]benzene
CID 54430523
1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 77470250
2-fluoro-1-[3-fluoro-4-(4-propylcyclohexyl)phenyl]-4-[4-[4-(3-methoxypropyl)cyclohexyl]butyl]benzene
CID 23297316
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 14439252

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile?
The IUPAC name of 4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile (CID 70412326) is 4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile.
What is the SMILES notation for 4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile?
The canonical SMILES for 4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile is CCCC1CCC(c2ccc(CCc3ccc(C#N)cc3)cc2F)CC1.
What is the InChIKey of 4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile?
The InChIKey is XGRTXQNDJSXMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN/c1-2-3-18-10-13-22(14-11-18)23-15-12-20(16-24(23)25)7-4-19-5-8-21(17-26)9-6-19/h5-6,8-9,12,15-16,18,22H,2-4,7,10-11,13-14H2,1H3.
What are the key properties of 4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile?
4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile has a molecular weight of 349.49 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile is sourced from PubChem (CID 70412326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).