1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-fluorobenzene

C24H35F — CID 54259474

IUPAC1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-fluorobenzene
SMILESCCC1CCC(C2CCC(CC=CCc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C24H35F/c1-2-19-7-13-22(14-8-19)23-15-9-20(10-16-23)5-3-4-6-21-11-17-24(25)18-12-21/h3-4,11-12,17-20,22-23H,2,5-10,13-16H2,1H3
InChIKeyRCLQTDJCIVQMNH-UHFFFAOYSA-N
MW342.54 g/mol
LogP7.34
Rot. Bonds6

About 1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-fluorobenzene

1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-fluorobenzene (PubChem CID 54259474) has the molecular formula C24H35F and a molecular weight of 342.54 g/mol. Its IUPAC name is 1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-fluorobenzene
PubChem CID54259474
Molecular FormulaC24H35F
Molecular Weight342.54 g/mol
Exact Mass342.27
IUPAC Name1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-fluorobenzene
SMILESCCC1CCC(C2CCC(CC=CCc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C24H35F/c1-2-19-7-13-22(14-8-19)23-15-9-20(10-16-23)5-3-4-6-21-11-17-24(25)18-12-21/h3-4,11-12,17-20,22-23H,2,5-10,13-16H2,1H3
InChIKeyRCLQTDJCIVQMNH-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.54
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-fluorobenzene 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 1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-fluorobenzene?
The IUPAC name of 1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-fluorobenzene (CID 54259474) is 1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-fluorobenzene.
What is the SMILES notation for 1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-fluorobenzene?
The canonical SMILES for 1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-fluorobenzene is CCC1CCC(C2CCC(CC=CCc3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-fluorobenzene?
The InChIKey is RCLQTDJCIVQMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F/c1-2-19-7-13-22(14-8-19)23-15-9-20(10-16-23)5-3-4-6-21-11-17-24(25)18-12-21/h3-4,11-12,17-20,22-23H,2,5-10,13-16H2,1H3.
What are the key properties of 1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-fluorobenzene?
1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-fluorobenzene has a molecular weight of 342.54 g/mol, XLogP of 7.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-fluorobenzene is sourced from PubChem (CID 54259474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).