5-[4-[4-(4-ethylphenyl)cyclohexyl]cyclohexyl]-2-fluoropenta-2,4-dienenitrile

C25H32FN — CID 54232791

IUPAC5-[4-[4-(4-ethylphenyl)cyclohexyl]cyclohexyl]-2-fluoropenta-2,4-dienenitrile
SMILESCCc1ccc(C2CCC(C3CCC(C=CC=C(F)C#N)CC3)CC2)cc1
InChIInChI=1S/C25H32FN/c1-2-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)4-3-5-25(26)18-27/h3-7,10-11,20,22-24H,2,8-9,12-17H2,1H3
InChIKeyQKLDDAQSLYNPMV-UHFFFAOYSA-N
MW365.54 g/mol
LogP7.26
Rot. Bonds5

About 5-[4-[4-(4-ethylphenyl)cyclohexyl]cyclohexyl]-2-fluoropenta-2,4-dienenitrile

5-[4-[4-(4-ethylphenyl)cyclohexyl]cyclohexyl]-2-fluoropenta-2,4-dienenitrile (PubChem CID 54232791) has the molecular formula C25H32FN and a molecular weight of 365.54 g/mol. Its IUPAC name is 5-[4-[4-(4-ethylphenyl)cyclohexyl]cyclohexyl]-2-fluoropenta-2,4-dienenitrile.

Molecular Properties

Compound Name5-[4-[4-(4-ethylphenyl)cyclohexyl]cyclohexyl]-2-fluoropenta-2,4-dienenitrile
PubChem CID54232791
Molecular FormulaC25H32FN
Molecular Weight365.54 g/mol
Exact Mass365.25
IUPAC Name5-[4-[4-(4-ethylphenyl)cyclohexyl]cyclohexyl]-2-fluoropenta-2,4-dienenitrile
SMILESCCc1ccc(C2CCC(C3CCC(C=CC=C(F)C#N)CC3)CC2)cc1
InChIInChI=1S/C25H32FN/c1-2-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)4-3-5-25(26)18-27/h3-7,10-11,20,22-24H,2,8-9,12-17H2,1H3
InChIKeyQKLDDAQSLYNPMV-UHFFFAOYSA-N
XLogP7.26
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.54
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[4-[4-(4-ethylphenyl)cyclohexyl]cyclohexyl]-2-fluoropenta-2,4-dienenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4-ethylphenyl)cyclohexyl]cyclohexyl]-2-fluoropenta-2,4-dienenitrile?
The IUPAC name of 5-[4-[4-(4-ethylphenyl)cyclohexyl]cyclohexyl]-2-fluoropenta-2,4-dienenitrile (CID 54232791) is 5-[4-[4-(4-ethylphenyl)cyclohexyl]cyclohexyl]-2-fluoropenta-2,4-dienenitrile.
What is the SMILES notation for 5-[4-[4-(4-ethylphenyl)cyclohexyl]cyclohexyl]-2-fluoropenta-2,4-dienenitrile?
The canonical SMILES for 5-[4-[4-(4-ethylphenyl)cyclohexyl]cyclohexyl]-2-fluoropenta-2,4-dienenitrile is CCc1ccc(C2CCC(C3CCC(C=CC=C(F)C#N)CC3)CC2)cc1.
What is the InChIKey of 5-[4-[4-(4-ethylphenyl)cyclohexyl]cyclohexyl]-2-fluoropenta-2,4-dienenitrile?
The InChIKey is QKLDDAQSLYNPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN/c1-2-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)4-3-5-25(26)18-27/h3-7,10-11,20,22-24H,2,8-9,12-17H2,1H3.
What are the key properties of 5-[4-[4-(4-ethylphenyl)cyclohexyl]cyclohexyl]-2-fluoropenta-2,4-dienenitrile?
5-[4-[4-(4-ethylphenyl)cyclohexyl]cyclohexyl]-2-fluoropenta-2,4-dienenitrile has a molecular weight of 365.54 g/mol, XLogP of 7.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(4-ethylphenyl)cyclohexyl]cyclohexyl]-2-fluoropenta-2,4-dienenitrile is sourced from PubChem (CID 54232791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).