1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene

C8H7BrClF — CID 130777933

IUPAC1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene
SMILESCc1cc(Cl)c(F)cc1CBr
InChIInChI=1S/C8H7BrClF/c1-5-2-7(10)8(11)3-6(5)4-9/h2-3H,4H2,1H3
InChIKeyCLUGMJMDTWMASI-UHFFFAOYSA-N
MW237.50 g/mol
LogP3.68
Rot. Bonds1

About 1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene

1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene (PubChem CID 130777933) has the molecular formula C8H7BrClF and a molecular weight of 237.50 g/mol. Its IUPAC name is 1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene
PubChem CID130777933
Molecular FormulaC8H7BrClF
Molecular Weight237.50 g/mol
Exact Mass235.94
IUPAC Name1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene
SMILESCc1cc(Cl)c(F)cc1CBr
InChIInChI=1S/C8H7BrClF/c1-5-2-7(10)8(11)3-6(5)4-9/h2-3H,4H2,1H3
InChIKeyCLUGMJMDTWMASI-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.50
LogP ≤ 53.68
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-chloro-4-(chloromethyl)-2-fluoro-5-methylbenzene
CID 131117181
1-chloro-2-fluoro-4-(fluoromethyl)-5-methylbenzene
CID 130952745
N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84777598
N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine
CID 84771311
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid
CID 84784993
1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene
CID 131118728
1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene
CID 89042386
N-(bromomethyl)-1-(2-chloro-5-fluoro-4-methylphenyl)-N-methylmethanamine
CID 115262157
O-[(5-chloro-4-fluoro-2-methylphenyl)methyl]hydroxylamine
CID 117281702
2-(bromomethyl)-4-chloro-5-fluorobenzoic acid
CID 171019929
methyl (2S)-2-[(4-chloro-5-fluoro-2-methylphenyl)methyl-methylamino]propanoate
CID 90393866

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene?
The IUPAC name of 1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene (CID 130777933) is 1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene.
What is the SMILES notation for 1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene?
The canonical SMILES for 1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene is Cc1cc(Cl)c(F)cc1CBr.
What is the InChIKey of 1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene?
The InChIKey is CLUGMJMDTWMASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF/c1-5-2-7(10)8(11)3-6(5)4-9/h2-3H,4H2,1H3.
What are the key properties of 1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene?
1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene has a molecular weight of 237.50 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene is sourced from PubChem (CID 130777933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).