1-bromo-3-fluoro-2,5-dimethylbenzene

C8H8BrF — CID 20799393

IUPAC1-bromo-3-fluoro-2,5-dimethylbenzene
SMILESCc1cc(F)c(C)c(Br)c1
InChIInChI=1S/C8H8BrF/c1-5-3-7(9)6(2)8(10)4-5/h3-4H,1-2H3
InChIKeyHXLHKLGNFLEBER-UHFFFAOYSA-N
MW203.05 g/mol
LogP3.21
Rot. Bonds

About 1-bromo-3-fluoro-2,5-dimethylbenzene

1-bromo-3-fluoro-2,5-dimethylbenzene (PubChem CID 20799393) has the molecular formula C8H8BrF and a molecular weight of 203.05 g/mol. Its IUPAC name is 1-bromo-3-fluoro-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-3-fluoro-2,5-dimethylbenzene
PubChem CID20799393
Molecular FormulaC8H8BrF
Molecular Weight203.05 g/mol
Exact Mass201.98
IUPAC Name1-bromo-3-fluoro-2,5-dimethylbenzene
SMILESCc1cc(F)c(C)c(Br)c1
InChIInChI=1S/C8H8BrF/c1-5-3-7(9)6(2)8(10)4-5/h3-4H,1-2H3
InChIKeyHXLHKLGNFLEBER-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

Analyze 1-bromo-3-fluoro-2,5-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-2,5-dimethylbenzene?
The IUPAC name of 1-bromo-3-fluoro-2,5-dimethylbenzene (CID 20799393) is 1-bromo-3-fluoro-2,5-dimethylbenzene.
What is the SMILES notation for 1-bromo-3-fluoro-2,5-dimethylbenzene?
The canonical SMILES for 1-bromo-3-fluoro-2,5-dimethylbenzene is Cc1cc(F)c(C)c(Br)c1.
What is the InChIKey of 1-bromo-3-fluoro-2,5-dimethylbenzene?
The InChIKey is HXLHKLGNFLEBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF/c1-5-3-7(9)6(2)8(10)4-5/h3-4H,1-2H3.
What are the key properties of 1-bromo-3-fluoro-2,5-dimethylbenzene?
1-bromo-3-fluoro-2,5-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 1-bromo-3-fluoro-2,5-dimethylbenzene is sourced from PubChem (CID 20799393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).