2-bromo-3-fluoro-1,4-dimethylbenzene

C8H8BrF — CID 59160806

IUPAC2-bromo-3-fluoro-1,4-dimethylbenzene
SMILESCc1ccc(C)c(Br)c1F
InChIInChI=1S/C8H8BrF/c1-5-3-4-6(2)8(10)7(5)9/h3-4H,1-2H3
InChIKeyRGZUWRZMTHDTOV-UHFFFAOYSA-N
MW203.05 g/mol
LogP3.21
Rot. Bonds

About 2-bromo-3-fluoro-1,4-dimethylbenzene

2-bromo-3-fluoro-1,4-dimethylbenzene (PubChem CID 59160806) has the molecular formula C8H8BrF and a molecular weight of 203.05 g/mol. Its IUPAC name is 2-bromo-3-fluoro-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-bromo-3-fluoro-1,4-dimethylbenzene
PubChem CID59160806
Molecular FormulaC8H8BrF
Molecular Weight203.05 g/mol
Exact Mass201.98
IUPAC Name2-bromo-3-fluoro-1,4-dimethylbenzene
SMILESCc1ccc(C)c(Br)c1F
InChIInChI=1S/C8H8BrF/c1-5-3-4-6(2)8(10)7(5)9/h3-4H,1-2H3
InChIKeyRGZUWRZMTHDTOV-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.05
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-bromo-2-fluoro-4-methylphenol
CID 125116434
2-(2-bromo-3-fluoro-4-methylphenyl)acetonitrile
CID 84792026
(3-bromo-2-fluoro-4-methylphenyl)-methylcarbamic acid
CID 138504711
3-bromo-1,2,4-trifluoro-5-methylbenzene
CID 54030137
methyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate
CID 171015076
3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene
CID 130056287
2-bromo-1-(2-bromo-3-fluoro-4-methylphenyl)ethanone
CID 171007588
3-bromo-2-(1-bromoethyl)-1-fluoro-4-methylbenzene
CID 130140556
2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid
CID 117411611
3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene
CID 156561283
3-(2-bromo-3-fluoro-4-methylphenyl)-3-methylbutanoic acid
CID 117466912
4-[(2-bromo-3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole
CID 170746891

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-1,4-dimethylbenzene?
The IUPAC name of 2-bromo-3-fluoro-1,4-dimethylbenzene (CID 59160806) is 2-bromo-3-fluoro-1,4-dimethylbenzene.
What is the SMILES notation for 2-bromo-3-fluoro-1,4-dimethylbenzene?
The canonical SMILES for 2-bromo-3-fluoro-1,4-dimethylbenzene is Cc1ccc(C)c(Br)c1F.
What is the InChIKey of 2-bromo-3-fluoro-1,4-dimethylbenzene?
The InChIKey is RGZUWRZMTHDTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF/c1-5-3-4-6(2)8(10)7(5)9/h3-4H,1-2H3.
What are the key properties of 2-bromo-3-fluoro-1,4-dimethylbenzene?
2-bromo-3-fluoro-1,4-dimethylbenzene has a molecular weight of 203.05 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-1,4-dimethylbenzene is sourced from PubChem (CID 59160806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).