1-bromo-2-[(3-chlorocyclohexyl)methyl]-4-fluorobenzene

C13H15BrClF — CID 64515684

IUPAC1-bromo-2-[(3-chlorocyclohexyl)methyl]-4-fluorobenzene
SMILESFc1ccc(Br)c(CC2CCCC(Cl)C2)c1
InChIInChI=1S/C13H15BrClF/c14-13-5-4-12(16)8-10(13)6-9-2-1-3-11(15)7-9/h4-5,8-9,11H,1-3,6-7H2
InChIKeyWWAMGVSZTILBDR-UHFFFAOYSA-N
MW305.62 g/mol
LogP4.93
Rot. Bonds2

About 1-bromo-2-[(3-chlorocyclohexyl)methyl]-4-fluorobenzene

1-bromo-2-[(3-chlorocyclohexyl)methyl]-4-fluorobenzene (PubChem CID 64515684) has the molecular formula C13H15BrClF and a molecular weight of 305.62 g/mol. Its IUPAC name is 1-bromo-2-[(3-chlorocyclohexyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-[(3-chlorocyclohexyl)methyl]-4-fluorobenzene
PubChem CID64515684
Molecular FormulaC13H15BrClF
Molecular Weight305.62 g/mol
Exact Mass304.00
IUPAC Name1-bromo-2-[(3-chlorocyclohexyl)methyl]-4-fluorobenzene
SMILESFc1ccc(Br)c(CC2CCCC(Cl)C2)c1
InChIInChI=1S/C13H15BrClF/c14-13-5-4-12(16)8-10(13)6-9-2-1-3-11(15)7-9/h4-5,8-9,11H,1-3,6-7H2
InChIKeyWWAMGVSZTILBDR-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

1-bromo-2-[(3-bromocyclohexyl)methyl]-4-fluorobenzene
CID 64508497
2-[(3-chlorocyclopentyl)methyl]-4-fluoro-1-methylbenzene
CID 105375583
2-bromo-N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 106131826
1-chloro-3-[(5-chloro-2-fluorophenyl)methyl]cycloheptane
CID 103050549
1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene
CID 64910113
1-[(5-bromo-2-methoxyphenyl)methyl]-3-chlorocycloheptane
CID 64509087
2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine
CID 81015031
1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 81033459
[1-(2-bromo-5-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170468
2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene
CID 165123188
2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 63460147
1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 103168480

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(3-chlorocyclohexyl)methyl]-4-fluorobenzene?
The IUPAC name of 1-bromo-2-[(3-chlorocyclohexyl)methyl]-4-fluorobenzene (CID 64515684) is 1-bromo-2-[(3-chlorocyclohexyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2-[(3-chlorocyclohexyl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-bromo-2-[(3-chlorocyclohexyl)methyl]-4-fluorobenzene is Fc1ccc(Br)c(CC2CCCC(Cl)C2)c1.
What is the InChIKey of 1-bromo-2-[(3-chlorocyclohexyl)methyl]-4-fluorobenzene?
The InChIKey is WWAMGVSZTILBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClF/c14-13-5-4-12(16)8-10(13)6-9-2-1-3-11(15)7-9/h4-5,8-9,11H,1-3,6-7H2.
What are the key properties of 1-bromo-2-[(3-chlorocyclohexyl)methyl]-4-fluorobenzene?
1-bromo-2-[(3-chlorocyclohexyl)methyl]-4-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 1-bromo-2-[(3-chlorocyclohexyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 64515684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).