4-bromo-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene

C13H15BrClF — CID 63459847

IUPAC4-bromo-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene
SMILESFc1cc(Br)ccc1CC1CCCCC1Cl
InChIInChI=1S/C13H15BrClF/c14-11-6-5-10(13(16)8-11)7-9-3-1-2-4-12(9)15/h5-6,8-9,12H,1-4,7H2
InChIKeyRCILNPYFLXFYOT-UHFFFAOYSA-N
MW305.62 g/mol
LogP4.93
Rot. Bonds2

About 4-bromo-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene

4-bromo-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene (PubChem CID 63459847) has the molecular formula C13H15BrClF and a molecular weight of 305.62 g/mol. Its IUPAC name is 4-bromo-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene
PubChem CID63459847
Molecular FormulaC13H15BrClF
Molecular Weight305.62 g/mol
Exact Mass304.00
IUPAC Name4-bromo-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene
SMILESFc1cc(Br)ccc1CC1CCCCC1Cl
InChIInChI=1S/C13H15BrClF/c14-11-6-5-10(13(16)8-11)7-9-3-1-2-4-12(9)15/h5-6,8-9,12H,1-4,7H2
InChIKeyRCILNPYFLXFYOT-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.62
LogP ≤ 54.93
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

4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene
CID 114857906
N-[[2-[(4-bromo-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81034903
1-chloro-2-[(2,5-difluorophenyl)methyl]cycloheptane
CID 55219699
N-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033024
N-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033901
1-chloro-2-[(4-fluoro-2-methylphenyl)methyl]cycloheptane
CID 114348646
N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 106365064
1-[(4-bromo-2-fluorophenyl)methyl]-3-chloro-4-methylpiperidine
CID 102959961
1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene
CID 102619676
2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine
CID 65399396
4-bromo-1-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-2-fluorobenzene
CID 112571141
4-bromo-1-(chloromethyl)-2-fluorobenzene;methane
CID 174575273

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene?
The IUPAC name of 4-bromo-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene (CID 63459847) is 4-bromo-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene is Fc1cc(Br)ccc1CC1CCCCC1Cl.
What is the InChIKey of 4-bromo-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene?
The InChIKey is RCILNPYFLXFYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClF/c14-11-6-5-10(13(16)8-11)7-9-3-1-2-4-12(9)15/h5-6,8-9,12H,1-4,7H2.
What are the key properties of 4-bromo-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene?
4-bromo-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene has a molecular weight of 305.62 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 63459847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).