4-bromo-1-(2-fluorophenyl)-2-methylbenzene

C13H10BrF — CID 18379584

IUPAC4-bromo-1-(2-fluorophenyl)-2-methylbenzene
SMILESCc1cc(Br)ccc1-c1ccccc1F
InChIInChI=1S/C13H10BrF/c1-9-8-10(14)6-7-11(9)12-4-2-3-5-13(12)15/h2-8H,1H3
InChIKeyHYSCQRQMNLBEQT-UHFFFAOYSA-N
MW265.12 g/mol
LogP4.56
Rot. Bonds1

About 4-bromo-1-(2-fluorophenyl)-2-methylbenzene

4-bromo-1-(2-fluorophenyl)-2-methylbenzene (PubChem CID 18379584) has the molecular formula C13H10BrF and a molecular weight of 265.12 g/mol. Its IUPAC name is 4-bromo-1-(2-fluorophenyl)-2-methylbenzene.

Molecular Properties

Compound Name4-bromo-1-(2-fluorophenyl)-2-methylbenzene
PubChem CID18379584
Molecular FormulaC13H10BrF
Molecular Weight265.12 g/mol
Exact Mass263.99
IUPAC Name4-bromo-1-(2-fluorophenyl)-2-methylbenzene
SMILESCc1cc(Br)ccc1-c1ccccc1F
InChIInChI=1S/C13H10BrF/c1-9-8-10(14)6-7-11(9)12-4-2-3-5-13(12)15/h2-8H,1H3
InChIKeyHYSCQRQMNLBEQT-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 4-bromo-1-(2-fluorophenyl)-2-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-Bromobiphenyl
CID 7101
3-Bromobiphenyl
CID 16449
Pbb 77
CID 107953
4,4'-Dibromobiphenyl
CID 7110
3,5-Dibromobiphenyl
CID 3014933
3,4-Dibromobiphenyl
CID 181262
3,4,5-Tribromobiphenyl
CID 189284
2-Bromonaphthalene
CID 11372
3,3'-Dibromobiphenyl
CID 153987
3,4',5-Tribromobiphenyl
CID 155722
2,4'-Dibromobiphenyl
CID 154303
2,4',5-Tribromobiphenyl
CID 181212

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-fluorophenyl)-2-methylbenzene?
The IUPAC name of 4-bromo-1-(2-fluorophenyl)-2-methylbenzene (CID 18379584) is 4-bromo-1-(2-fluorophenyl)-2-methylbenzene.
What is the SMILES notation for 4-bromo-1-(2-fluorophenyl)-2-methylbenzene?
The canonical SMILES for 4-bromo-1-(2-fluorophenyl)-2-methylbenzene is Cc1cc(Br)ccc1-c1ccccc1F.
What is the InChIKey of 4-bromo-1-(2-fluorophenyl)-2-methylbenzene?
The InChIKey is HYSCQRQMNLBEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF/c1-9-8-10(14)6-7-11(9)12-4-2-3-5-13(12)15/h2-8H,1H3.
What are the key properties of 4-bromo-1-(2-fluorophenyl)-2-methylbenzene?
4-bromo-1-(2-fluorophenyl)-2-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 4-bromo-1-(2-fluorophenyl)-2-methylbenzene is sourced from PubChem (CID 18379584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).