1-(2-bromophenyl)-2-fluoro-3-methylbenzene

C13H10BrF — CID 151989119

IUPAC1-(2-bromophenyl)-2-fluoro-3-methylbenzene
SMILESCc1cccc(-c2ccccc2Br)c1F
InChIInChI=1S/C13H10BrF/c1-9-5-4-7-11(13(9)15)10-6-2-3-8-12(10)14/h2-8H,1H3
InChIKeyUEHJXGABASCCCD-UHFFFAOYSA-N
MW265.12 g/mol
LogP4.56
Rot. Bonds1

About 1-(2-bromophenyl)-2-fluoro-3-methylbenzene

1-(2-bromophenyl)-2-fluoro-3-methylbenzene (PubChem CID 151989119) has the molecular formula C13H10BrF and a molecular weight of 265.12 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-fluoro-3-methylbenzene
PubChem CID151989119
Molecular FormulaC13H10BrF
Molecular Weight265.12 g/mol
Exact Mass263.99
IUPAC Name1-(2-bromophenyl)-2-fluoro-3-methylbenzene
SMILESCc1cccc(-c2ccccc2Br)c1F
InChIInChI=1S/C13H10BrF/c1-9-5-4-7-11(13(9)15)10-6-2-3-8-12(10)14/h2-8H,1H3
InChIKeyUEHJXGABASCCCD-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2-bromophenyl)-2-fluoro-3-methylbenzene with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-bromophenyl)-2-(2-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole
CID 107113804
5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene
CID 54136106
1-(2-fluoro-3-methylphenyl)naphthalene
CID 90266560
2-(2-bromophenyl)-6-(2-methylphenyl)pyridine
CID 166649575
1-bromo-2-[2-(2-fluorophenyl)phenyl]benzene
CID 168811602
2-(2-bromophenyl)-1-fluoro-4-methylbenzene
CID 90775083
1-bromo-2-methylbenzene;deuterium monohydride;1-methyl-2-(2-methylphenyl)benzene
CID 162050163
2-(2-fluoro-3-methylphenyl)naphthalene
CID 167454716
2-bromo-1-[2-(2-bromo-3-methylphenyl)phenyl]-3-methylbenzene
CID 147690466
5-(2-fluoro-3-methylphenyl)naphthalen-1-amine
CID 172677687
1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene
CID 169173470
1-bromo-3-fluoro-2-(2-fluorophenyl)benzene
CID 125457696

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-fluoro-3-methylbenzene?
The IUPAC name of 1-(2-bromophenyl)-2-fluoro-3-methylbenzene (CID 151989119) is 1-(2-bromophenyl)-2-fluoro-3-methylbenzene.
What is the SMILES notation for 1-(2-bromophenyl)-2-fluoro-3-methylbenzene?
The canonical SMILES for 1-(2-bromophenyl)-2-fluoro-3-methylbenzene is Cc1cccc(-c2ccccc2Br)c1F.
What is the InChIKey of 1-(2-bromophenyl)-2-fluoro-3-methylbenzene?
The InChIKey is UEHJXGABASCCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF/c1-9-5-4-7-11(13(9)15)10-6-2-3-8-12(10)14/h2-8H,1H3.
What are the key properties of 1-(2-bromophenyl)-2-fluoro-3-methylbenzene?
1-(2-bromophenyl)-2-fluoro-3-methylbenzene has a molecular weight of 265.12 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-fluoro-3-methylbenzene is sourced from PubChem (CID 151989119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).