1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene

C8H7Br2F — CID 131118036

IUPAC1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene
SMILESCc1cc(F)c(CBr)c(Br)c1
InChIInChI=1S/C8H7Br2F/c1-5-2-7(10)6(4-9)8(11)3-5/h2-3H,4H2,1H3
InChIKeyJZCOYODCFIZNFP-UHFFFAOYSA-N
MW281.95 g/mol
LogP3.79
Rot. Bonds1

About 1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene

1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene (PubChem CID 131118036) has the molecular formula C8H7Br2F and a molecular weight of 281.95 g/mol. Its IUPAC name is 1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene.

Molecular Properties

Compound Name1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene
PubChem CID131118036
Molecular FormulaC8H7Br2F
Molecular Weight281.95 g/mol
Exact Mass279.89
IUPAC Name1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene
SMILESCc1cc(F)c(CBr)c(Br)c1
InChIInChI=1S/C8H7Br2F/c1-5-2-7(10)6(4-9)8(11)3-5/h2-3H,4H2,1H3
InChIKeyJZCOYODCFIZNFP-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.95
LogP ≤ 53.79
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

bis[3-bromo-2-(bromomethyl)-5-methylphenyl]methanone
CID 139698646
1-bromo-3-fluoro-2,5-dimethylbenzene
CID 20799393
2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone
CID 131293210
(2,6-difluoro-4-methylphenyl)methanamine
CID 118595303
1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene
CID 131074450
ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene
CID 170736558
2-bromo-1-fluoro-3,5-dimethylbenzene;ethane
CID 142302945
2-bromo-6-fluoro-4-methylbenzoic acid
CID 119019979
8-bromo-1,2-difluoro-6-methylnaphthalene
CID 174273019
1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene
CID 170736464
2-(bromomethyl)-1,3-difluoro-5-iodobenzene
CID 131263559
(2-bromo-6-fluoro-4-methylphenyl)urea
CID 141173640

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene?
The IUPAC name of 1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene (CID 131118036) is 1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene.
What is the SMILES notation for 1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene?
The canonical SMILES for 1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene is Cc1cc(F)c(CBr)c(Br)c1.
What is the InChIKey of 1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene?
The InChIKey is JZCOYODCFIZNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2F/c1-5-2-7(10)6(4-9)8(11)3-5/h2-3H,4H2,1H3.
What are the key properties of 1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene?
1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene has a molecular weight of 281.95 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene is sourced from PubChem (CID 131118036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).