3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene

C8H7Br2F — CID 130056287

IUPAC3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(CBr)c1Br
InChIInChI=1S/C8H7Br2F/c1-5-2-3-7(11)6(4-9)8(5)10/h2-3H,4H2,1H3
InChIKeyLGSUAMKGIIEJGV-UHFFFAOYSA-N
MW281.95 g/mol
LogP3.79
Rot. Bonds1

About 3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene

3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene (PubChem CID 130056287) has the molecular formula C8H7Br2F and a molecular weight of 281.95 g/mol. Its IUPAC name is 3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene.

Molecular Properties

Compound Name3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene
PubChem CID130056287
Molecular FormulaC8H7Br2F
Molecular Weight281.95 g/mol
Exact Mass279.89
IUPAC Name3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(CBr)c1Br
InChIInChI=1S/C8H7Br2F/c1-5-2-3-7(11)6(4-9)8(5)10/h2-3H,4H2,1H3
InChIKeyLGSUAMKGIIEJGV-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

2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene
CID 131575794
2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene
CID 130925987
2,3-bis(bromomethyl)-1,4-difluorobenzene
CID 59382290
(2-bromo-6-fluoro-3-methylphenyl)methyl methanesulfonate
CID 130056284
2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene
CID 82822097
2-bromo-3-fluoro-1,4-dimethylbenzene
CID 59160806
2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene
CID 130140582
4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine
CID 170869770
2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
CID 175540499
3-bromo-2-(1-bromoethyl)-1-fluoro-4-methylbenzene
CID 130140556
1-bromo-3-(bromomethyl)-2,4-dimethylbenzene
CID 131618742
2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 114065440

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene?
The IUPAC name of 3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene (CID 130056287) is 3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene.
What is the SMILES notation for 3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene?
The canonical SMILES for 3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene is Cc1ccc(F)c(CBr)c1Br.
What is the InChIKey of 3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene?
The InChIKey is LGSUAMKGIIEJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2F/c1-5-2-3-7(11)6(4-9)8(5)10/h2-3H,4H2,1H3.
What are the key properties of 3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene?
3-bromo-2-(bromomethyl)-1-fluoro-4-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 3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene is sourced from PubChem (CID 130056287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).