1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene

C13H16BrF — CID 63471632

IUPAC1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene
SMILESFc1ccccc1CC1CCCCC1Br
InChIInChI=1S/C13H16BrF/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h2,4,6,8,10,12H,1,3,5,7,9H2
InChIKeyHREKXUFGGDMHIW-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.32
Rot. Bonds2

About 1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene

1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene (PubChem CID 63471632) has the molecular formula C13H16BrF and a molecular weight of 271.17 g/mol. Its IUPAC name is 1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene
PubChem CID63471632
Molecular FormulaC13H16BrF
Molecular Weight271.17 g/mol
Exact Mass270.04
IUPAC Name1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene
SMILESFc1ccccc1CC1CCCCC1Br
InChIInChI=1S/C13H16BrF/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h2,4,6,8,10,12H,1,3,5,7,9H2
InChIKeyHREKXUFGGDMHIW-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(2-bromocyclohexyl)methyl]-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

2-[(2-bromocyclohexyl)methyl]-1,4-difluorobenzene
CID 63472389
1-[(2-bromo-5-phenylcyclohexyl)methyl]-2-fluorobenzene
CID 63471287
1-[(2-bromocyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 104794444
1-(cyclobutylmethyl)-2-fluorobenzene
CID 89050192
1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene
CID 107309484
2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 61381499
N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81026010
[2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 112655044
2-[(2-fluorophenyl)methyl]oxane
CID 20724373
(2R)-2-[(2-fluorophenyl)methyl]pyrrolidin-1-ium
CID 7047956
1-bromo-2-[(3,5-difluorophenyl)methyl]cycloheptane
CID 105407761
4-bromo-3-[(2,3-difluorophenyl)methyl]oxane
CID 106471640

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene?
The IUPAC name of 1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene (CID 63471632) is 1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene?
The canonical SMILES for 1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene is Fc1ccccc1CC1CCCCC1Br.
What is the InChIKey of 1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene?
The InChIKey is HREKXUFGGDMHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h2,4,6,8,10,12H,1,3,5,7,9H2.
What are the key properties of 1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene?
1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene has a molecular weight of 271.17 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 63471632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).