2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene

C11H11BrClF — CID 66033542

IUPAC2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene
SMILESFc1ccc(CC2(CCl)CC2)cc1Br
InChIInChI=1S/C11H11BrClF/c12-9-5-8(1-2-10(9)14)6-11(7-13)3-4-11/h1-2,5H,3-4,6-7H2
InChIKeyCAYMZKNGLULFQH-UHFFFAOYSA-N
MW277.56 g/mol
LogP4.15
Rot. Bonds3

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

2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene (PubChem CID 66033542) has the molecular formula C11H11BrClF and a molecular weight of 277.56 g/mol. Its IUPAC name is 2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene
PubChem CID66033542
Molecular FormulaC11H11BrClF
Molecular Weight277.56 g/mol
Exact Mass275.97
IUPAC Name2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene
SMILESFc1ccc(CC2(CCl)CC2)cc1Br
InChIInChI=1S/C11H11BrClF/c12-9-5-8(1-2-10(9)14)6-11(7-13)3-4-11/h1-2,5H,3-4,6-7H2
InChIKeyCAYMZKNGLULFQH-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.56
LogP ≤ 54.15
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-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene
CID 82935489
[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol
CID 66024777
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66024671
2-chloro-4-[[1-(chloromethyl)cyclobutyl]methyl]-1-fluorobenzene
CID 103042016
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 63508188
1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene
CID 66033323
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 63507129
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196016
1-[(3-bromo-4-fluorophenyl)methyl]cyclobutane-1-carbonitrile
CID 65376198
4-[(3-bromo-4-fluorophenyl)methyl]oxepan-4-ol
CID 65079646
4-[(4-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)oxane
CID 107893120
1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol
CID 54971162

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene?
The IUPAC name of 2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene (CID 66033542) is 2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene is Fc1ccc(CC2(CCl)CC2)cc1Br.
What is the InChIKey of 2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene?
The InChIKey is CAYMZKNGLULFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClF/c12-9-5-8(1-2-10(9)14)6-11(7-13)3-4-11/h1-2,5H,3-4,6-7H2.
What are the key properties of 2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene?
2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene has a molecular weight of 277.56 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene is sourced from PubChem (CID 66033542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).