1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene

C13H16BrF — CID 177244995

IUPAC1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene
SMILESFc1ccc(C2CCC(CBr)CC2)cc1
InChIInChI=1S/C13H16BrF/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11H,1-4,9H2
InChIKeySEFLJAPMRLXSAU-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.49
Rot. Bonds2

About 1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene

1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene (PubChem CID 177244995) has the molecular formula C13H16BrF and a molecular weight of 271.17 g/mol. Its IUPAC name is 1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene
PubChem CID177244995
Molecular FormulaC13H16BrF
Molecular Weight271.17 g/mol
Exact Mass270.04
IUPAC Name1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene
SMILESFc1ccc(C2CCC(CBr)CC2)cc1
InChIInChI=1S/C13H16BrF/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11H,1-4,9H2
InChIKeySEFLJAPMRLXSAU-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 54.49
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-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene
CID 23364832
1-[4-(4-bromobutyl)cyclohexyl]-4-fluorobenzene
CID 22913701
1-[4-(bromomethyl)cyclohexyl]-4-[(Z)-1,2-difluoroethenyl]benzene
CID 18935782
1-fluoro-4-(4-fluorocyclohexyl)benzene
CID 23539867
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine
CID 79979256
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene
CID 19798819
ethane;4-(4-fluorophenyl)piperidine
CID 144692128
1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene
CID 175685460

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene?
The IUPAC name of 1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene (CID 177244995) is 1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene.
What is the SMILES notation for 1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene?
The canonical SMILES for 1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene is Fc1ccc(C2CCC(CBr)CC2)cc1.
What is the InChIKey of 1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene?
The InChIKey is SEFLJAPMRLXSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11H,1-4,9H2.
What are the key properties of 1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene?
1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene has a molecular weight of 271.17 g/mol, XLogP of 4.49, 2 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-fluorobenzene is sourced from PubChem (CID 177244995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).