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

C8H7Br2F — CID 131575794

IUPAC2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(Br)c1CBr
InChIInChI=1S/C8H7Br2F/c1-5-2-3-7(11)8(10)6(5)4-9/h2-3H,4H2,1H3
InChIKeyIWGOOKGZEKOGPZ-UHFFFAOYSA-N
MW281.95 g/mol
LogP3.79
Rot. Bonds1

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

2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene (PubChem CID 131575794) has the molecular formula C8H7Br2F and a molecular weight of 281.95 g/mol. Its IUPAC name is 2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene.

Molecular Properties

Compound Name2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene
PubChem CID131575794
Molecular FormulaC8H7Br2F
Molecular Weight281.95 g/mol
Exact Mass279.89
IUPAC Name2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(Br)c1CBr
InChIInChI=1S/C8H7Br2F/c1-5-2-3-7(11)8(10)6(5)4-9/h2-3H,4H2,1H3
InChIKeyIWGOOKGZEKOGPZ-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

3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene
CID 130056287
2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene
CID 130925987
2,3-bis(bromomethyl)-1,4-difluorobenzene
CID 59382290
3-bromo-2-(bromomethyl)-4-fluorobenzonitrile
CID 131028928
ethyl 3-bromo-2-(bromomethyl)-4-fluorobenzoate
CID 131266769
1-bromo-3-(bromomethyl)-2,4-dimethylbenzene
CID 131618742
2-[3-bromo-2-(bromomethyl)-4-fluorophenyl]acetonitrile
CID 130820715
2,3-dibromo-1-fluoro-4-(fluoromethyl)benzene
CID 118830363
(2-bromo-3,6-difluorophenyl)methanamine
CID 124707320
ethyl 2-[2-bromo-6-(bromomethyl)-3-fluorophenyl]acetate
CID 171004405
2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene
CID 82822097
2-(2-bromo-3-fluoro-6-methylphenyl)propan-1-amine
CID 117367099

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene?
The IUPAC name of 2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene (CID 131575794) is 2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene.
What is the SMILES notation for 2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene?
The canonical SMILES for 2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene is Cc1ccc(F)c(Br)c1CBr.
What is the InChIKey of 2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene?
The InChIKey is IWGOOKGZEKOGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2F/c1-5-2-3-7(11)8(10)6(5)4-9/h2-3H,4H2,1H3.
What are the key properties of 2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene?
2-bromo-3-(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 2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene is sourced from PubChem (CID 131575794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).