1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene

C8H7BrClF — CID 130090932

IUPAC1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene
SMILESCc1cc(F)c(CCl)cc1Br
InChIInChI=1S/C8H7BrClF/c1-5-2-8(11)6(4-10)3-7(5)9/h2-3H,4H2,1H3
InChIKeyGCVPRGPNPCLQPV-UHFFFAOYSA-N
MW237.50 g/mol
LogP3.64
Rot. Bonds1

About 1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene

1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene (PubChem CID 130090932) has the molecular formula C8H7BrClF and a molecular weight of 237.50 g/mol. Its IUPAC name is 1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene
PubChem CID130090932
Molecular FormulaC8H7BrClF
Molecular Weight237.50 g/mol
Exact Mass235.94
IUPAC Name1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene
SMILESCc1cc(F)c(CCl)cc1Br
InChIInChI=1S/C8H7BrClF/c1-5-2-8(11)6(4-10)3-7(5)9/h2-3H,4H2,1H3
InChIKeyGCVPRGPNPCLQPV-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
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

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CID 117369420
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(4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 171906157
2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine
CID 117461292
1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene
CID 130877169
1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone
CID 131292332
1-(chloromethyl)-2-fluoro-5-methyl-4-nitrobenzene
CID 67175932
1-chloro-4-(chloromethyl)-2-fluoro-5-methylbenzene
CID 131117181
4-bromo-1-(chloromethyl)-2-fluorobenzene;methane
CID 174575273
5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline
CID 107594160
N-(5-bromo-4-fluoro-2-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazol-2-amine
CID 107594506
1-bromo-2-(chloromethyl)-5-fluoro-4-iodobenzene
CID 131331859

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene?
The IUPAC name of 1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene (CID 130090932) is 1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene.
What is the SMILES notation for 1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene?
The canonical SMILES for 1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene is Cc1cc(F)c(CCl)cc1Br.
What is the InChIKey of 1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene?
The InChIKey is GCVPRGPNPCLQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF/c1-5-2-8(11)6(4-10)3-7(5)9/h2-3H,4H2,1H3.
What are the key properties of 1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene?
1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene has a molecular weight of 237.50 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene is sourced from PubChem (CID 130090932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).