1-[4-(bromomethyl)cyclohexyl]-4-[(Z)-1,2-difluoroethenyl]benzene

C15H17BrF2 — CID 18935782

IUPAC1-[4-(bromomethyl)cyclohexyl]-4-[(Z)-1,2-difluoroethenyl]benzene
SMILESF/C=C(\F)c1ccc(C2CCC(CBr)CC2)cc1
InChIInChI=1S/C15H17BrF2/c16-9-11-1-3-12(4-2-11)13-5-7-14(8-6-13)15(18)10-17/h5-8,10-12H,1-4,9H2/b15-10-
InChIKeyFOUHLHJWVMZNKO-GDNBJRDFSA-N
MW315.20 g/mol
LogP5.59
Rot. Bonds3

About 1-[4-(bromomethyl)cyclohexyl]-4-[(Z)-1,2-difluoroethenyl]benzene

1-[4-(bromomethyl)cyclohexyl]-4-[(Z)-1,2-difluoroethenyl]benzene (PubChem CID 18935782) has the molecular formula C15H17BrF2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-[4-(bromomethyl)cyclohexyl]-4-[(Z)-1,2-difluoroethenyl]benzene.

Molecular Properties

Compound Name1-[4-(bromomethyl)cyclohexyl]-4-[(Z)-1,2-difluoroethenyl]benzene
PubChem CID18935782
Molecular FormulaC15H17BrF2
Molecular Weight315.20 g/mol
Exact Mass314.05
IUPAC Name1-[4-(bromomethyl)cyclohexyl]-4-[(Z)-1,2-difluoroethenyl]benzene
SMILESF/C=C(\F)c1ccc(C2CCC(CBr)CC2)cc1
InChIInChI=1S/C15H17BrF2/c16-9-11-1-3-12(4-2-11)13-5-7-14(8-6-13)15(18)10-17/h5-8,10-12H,1-4,9H2/b15-10-
InChIKeyFOUHLHJWVMZNKO-GDNBJRDFSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.20
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene
CID 177244995
1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene
CID 123420497
2-bromo-1-[4-(4-ethylcyclohexyl)phenyl]ethanone
CID 102133235
1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 70030132
1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene
CID 175685460
1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene
CID 139790691
ethyl 2-[4-[4-(2-bromoacetyl)phenyl]cyclohexyl]acetate
CID 86634685
2-bromo-1-[4-(4-methylcyclohexyl)phenyl]ethanone
CID 141124897
1-[4-(4-bromobutyl)cyclohexyl]-4-fluorobenzene
CID 22913701
2-bromo-1-[4-(4-pentylcyclohexyl)phenyl]ethanone
CID 74655430
2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899
4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene
CID 23364832

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)cyclohexyl]-4-[(Z)-1,2-difluoroethenyl]benzene?
The IUPAC name of 1-[4-(bromomethyl)cyclohexyl]-4-[(Z)-1,2-difluoroethenyl]benzene (CID 18935782) is 1-[4-(bromomethyl)cyclohexyl]-4-[(Z)-1,2-difluoroethenyl]benzene.
What is the SMILES notation for 1-[4-(bromomethyl)cyclohexyl]-4-[(Z)-1,2-difluoroethenyl]benzene?
The canonical SMILES for 1-[4-(bromomethyl)cyclohexyl]-4-[(Z)-1,2-difluoroethenyl]benzene is F/C=C(\F)c1ccc(C2CCC(CBr)CC2)cc1.
What is the InChIKey of 1-[4-(bromomethyl)cyclohexyl]-4-[(Z)-1,2-difluoroethenyl]benzene?
The InChIKey is FOUHLHJWVMZNKO-GDNBJRDFSA-N. The full InChI is InChI=1S/C15H17BrF2/c16-9-11-1-3-12(4-2-11)13-5-7-14(8-6-13)15(18)10-17/h5-8,10-12H,1-4,9H2/b15-10-.
What are the key properties of 1-[4-(bromomethyl)cyclohexyl]-4-[(Z)-1,2-difluoroethenyl]benzene?
1-[4-(bromomethyl)cyclohexyl]-4-[(Z)-1,2-difluoroethenyl]benzene has a molecular weight of 315.20 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)cyclohexyl]-4-[(Z)-1,2-difluoroethenyl]benzene is sourced from PubChem (CID 18935782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).