1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene

C22H30BrF — CID 18656555

IUPAC1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene
SMILESFc1ccc(CCC2CCC(C3CCC(/C=C/Br)CC3)CC2)cc1
InChIInChI=1S/C22H30BrF/c23-16-15-19-5-11-21(12-6-19)20-9-3-17(4-10-20)1-2-18-7-13-22(24)14-8-18/h7-8,13-17,19-21H,1-6,9-12H2/b16-15+
InChIKeyGVOHSNWWBRQNPR-FOCLMDBBSA-N
MW393.38 g/mol
LogP7.28
Rot. Bonds5

About 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene

1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene (PubChem CID 18656555) has the molecular formula C22H30BrF and a molecular weight of 393.38 g/mol. Its IUPAC name is 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene
PubChem CID18656555
Molecular FormulaC22H30BrF
Molecular Weight393.38 g/mol
Exact Mass392.15
IUPAC Name1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene
SMILESFc1ccc(CCC2CCC(C3CCC(/C=C/Br)CC3)CC2)cc1
InChIInChI=1S/C22H30BrF/c23-16-15-19-5-11-21(12-6-19)20-9-3-17(4-10-20)1-2-18-7-13-22(24)14-8-18/h7-8,13-17,19-21H,1-6,9-12H2/b16-15+
InChIKeyGVOHSNWWBRQNPR-FOCLMDBBSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.38
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-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

Related Compounds

1-fluoro-4-[2-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]benzene
CID 19992676
1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene
CID 67859119
1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 18656533
1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene
CID 18656557
1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene
CID 57067777
2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]-1,3-dioxane
CID 18997894
1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 54416262
1-bromo-4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 54333614
1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene
CID 54227543
4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene
CID 19992698
2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid
CID 67651623
4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-1-(2-methylpropyl)silinane
CID 54111665

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene?
The IUPAC name of 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene (CID 18656555) is 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene.
What is the SMILES notation for 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene?
The canonical SMILES for 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene is Fc1ccc(CCC2CCC(C3CCC(/C=C/Br)CC3)CC2)cc1.
What is the InChIKey of 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene?
The InChIKey is GVOHSNWWBRQNPR-FOCLMDBBSA-N. The full InChI is InChI=1S/C22H30BrF/c23-16-15-19-5-11-21(12-6-19)20-9-3-17(4-10-20)1-2-18-7-13-22(24)14-8-18/h7-8,13-17,19-21H,1-6,9-12H2/b16-15+.
What are the key properties of 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene?
1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene has a molecular weight of 393.38 g/mol, XLogP of 7.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene is sourced from PubChem (CID 18656555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).