1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene

C26H39F — CID 19988165

IUPAC1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene
SMILESCCCCc1ccc(CCC2=CCC(C3CCC(CC)CC3)CC2)cc1F
InChIInChI=1S/C26H39F/c1-3-5-6-25-18-13-22(19-26(25)27)8-7-21-11-16-24(17-12-21)23-14-9-20(4-2)10-15-23/h11,13,18-20,23-24H,3-10,12,14-17H2,1-2H3
InChIKeyFUMDZMPIJXZCAD-UHFFFAOYSA-N
MW370.60 g/mol
LogP8.04
Rot. Bonds8

About 1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene

1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene (PubChem CID 19988165) has the molecular formula C26H39F and a molecular weight of 370.60 g/mol. Its IUPAC name is 1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene
PubChem CID19988165
Molecular FormulaC26H39F
Molecular Weight370.60 g/mol
Exact Mass370.30
IUPAC Name1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene
SMILESCCCCc1ccc(CCC2=CCC(C3CCC(CC)CC3)CC2)cc1F
InChIInChI=1S/C26H39F/c1-3-5-6-25-18-13-22(19-26(25)27)8-7-21-11-16-24(17-12-21)23-14-9-20(4-2)10-15-23/h11,13,18-20,23-24H,3-10,12,14-17H2,1-2H3
InChIKeyFUMDZMPIJXZCAD-UHFFFAOYSA-N
XLogP8.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.60
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene 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

1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene
CID 19987957
2-fluoro-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-1-methylbenzene
CID 18647719
1-butoxy-2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988273
4-[2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-hexylbenzene
CID 19987960
2-fluoro-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-1-methoxybenzene
CID 19988191
2-fluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]ethyl]benzonitrile
CID 19988187
2-(4-butyl-3-fluorophenyl)-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethanone
CID 57304904
1-ethyl-2-fluoro-4-[2-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]benzene
CID 19988134
1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene
CID 19987930
1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988281
1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 18647721
1-butoxy-4-[2-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988235

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene?
The IUPAC name of 1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene (CID 19988165) is 1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene.
What is the SMILES notation for 1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene?
The canonical SMILES for 1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene is CCCCc1ccc(CCC2=CCC(C3CCC(CC)CC3)CC2)cc1F.
What is the InChIKey of 1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene?
The InChIKey is FUMDZMPIJXZCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39F/c1-3-5-6-25-18-13-22(19-26(25)27)8-7-21-11-16-24(17-12-21)23-14-9-20(4-2)10-15-23/h11,13,18-20,23-24H,3-10,12,14-17H2,1-2H3.
What are the key properties of 1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene?
1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene has a molecular weight of 370.60 g/mol, XLogP of 8.04, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene is sourced from PubChem (CID 19988165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).