2,6-difluoro-4-[4-[(E)-2-(4-prop-2-enylcyclohexyl)ethenyl]cyclohexyl]benzonitrile

C24H29F2N — CID 67741326

IUPAC2,6-difluoro-4-[4-[(E)-2-(4-prop-2-enylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
SMILESC=CCC1CCC(/C=C/C2CCC(c3cc(F)c(C#N)c(F)c3)CC2)CC1
InChIInChI=1S/C24H29F2N/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-12-20(13-11-19)21-14-23(25)22(16-27)24(26)15-21/h2,8-9,14-15,17-20H,1,3-7,10-13H2/b9-8+
InChIKeyZNNCPZQTXKOUKB-CMDGGOBGSA-N
MW369.50 g/mol
LogP7.05
Rot. Bonds5

About 2,6-difluoro-4-[4-[(E)-2-(4-prop-2-enylcyclohexyl)ethenyl]cyclohexyl]benzonitrile

2,6-difluoro-4-[4-[(E)-2-(4-prop-2-enylcyclohexyl)ethenyl]cyclohexyl]benzonitrile (PubChem CID 67741326) has the molecular formula C24H29F2N and a molecular weight of 369.50 g/mol. Its IUPAC name is 2,6-difluoro-4-[4-[(E)-2-(4-prop-2-enylcyclohexyl)ethenyl]cyclohexyl]benzonitrile.

Molecular Properties

Compound Name2,6-difluoro-4-[4-[(E)-2-(4-prop-2-enylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
PubChem CID67741326
Molecular FormulaC24H29F2N
Molecular Weight369.50 g/mol
Exact Mass369.23
IUPAC Name2,6-difluoro-4-[4-[(E)-2-(4-prop-2-enylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
SMILESC=CCC1CCC(/C=C/C2CCC(c3cc(F)c(C#N)c(F)c3)CC2)CC1
InChIInChI=1S/C24H29F2N/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-12-20(13-11-19)21-14-23(25)22(16-27)24(26)15-21/h2,8-9,14-15,17-20H,1,3-7,10-13H2/b9-8+
InChIKeyZNNCPZQTXKOUKB-CMDGGOBGSA-N
XLogP7.05
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.50
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,6-difluoro-4-[4-[(E)-2-(4-prop-2-enylcyclohexyl)ethenyl]cyclohexyl]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-(4-buta-1,3-dienylcyclohexyl)-2,6-difluorobenzonitrile
CID 173325637
2,6-difluoro-4-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
CID 54532479
2,6-difluoro-4-[2-[4-[2-(4-prop-2-enylcyclohexyl)ethyl]cyclohexyl]ethyl]benzonitrile
CID 139901549
1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene
CID 18658497
2-fluoro-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]benzonitrile
CID 67748222
2,6-difluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzonitrile
CID 20708995
4-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-2,6-difluorobenzonitrile
CID 139725215
4-(4-prop-2-enylcyclohexyl)benzene-1,2-dicarbonitrile
CID 70523422
4-[[4-(4-but-1-enylcyclohexyl)-2,6-difluorophenyl]-difluoromethoxy]-2,6-difluorobenzonitrile
CID 173272518
4-[4-[2-(4-but-3-enoxy-2,6-difluorophenyl)ethyl]cyclohexyl]-2,6-difluorobenzonitrile
CID 139901614
4-[4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]cyclohexyl]benzonitrile
CID 70442568
4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2,6-difluorobenzonitrile
CID 22382978

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[4-[(E)-2-(4-prop-2-enylcyclohexyl)ethenyl]cyclohexyl]benzonitrile?
The IUPAC name of 2,6-difluoro-4-[4-[(E)-2-(4-prop-2-enylcyclohexyl)ethenyl]cyclohexyl]benzonitrile (CID 67741326) is 2,6-difluoro-4-[4-[(E)-2-(4-prop-2-enylcyclohexyl)ethenyl]cyclohexyl]benzonitrile.
What is the SMILES notation for 2,6-difluoro-4-[4-[(E)-2-(4-prop-2-enylcyclohexyl)ethenyl]cyclohexyl]benzonitrile?
The canonical SMILES for 2,6-difluoro-4-[4-[(E)-2-(4-prop-2-enylcyclohexyl)ethenyl]cyclohexyl]benzonitrile is C=CCC1CCC(/C=C/C2CCC(c3cc(F)c(C#N)c(F)c3)CC2)CC1.
What is the InChIKey of 2,6-difluoro-4-[4-[(E)-2-(4-prop-2-enylcyclohexyl)ethenyl]cyclohexyl]benzonitrile?
The InChIKey is ZNNCPZQTXKOUKB-CMDGGOBGSA-N. The full InChI is InChI=1S/C24H29F2N/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-12-20(13-11-19)21-14-23(25)22(16-27)24(26)15-21/h2,8-9,14-15,17-20H,1,3-7,10-13H2/b9-8+.
What are the key properties of 2,6-difluoro-4-[4-[(E)-2-(4-prop-2-enylcyclohexyl)ethenyl]cyclohexyl]benzonitrile?
2,6-difluoro-4-[4-[(E)-2-(4-prop-2-enylcyclohexyl)ethenyl]cyclohexyl]benzonitrile has a molecular weight of 369.50 g/mol, XLogP of 7.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[4-[(E)-2-(4-prop-2-enylcyclohexyl)ethenyl]cyclohexyl]benzonitrile is sourced from PubChem (CID 67741326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).