2-bromo-1-fluoro-4-(4-methylphenyl)benzene

C13H10BrF — CID 115049308

IUPAC2-bromo-1-fluoro-4-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C13H10BrF/c1-9-2-4-10(5-3-9)11-6-7-13(15)12(14)8-11/h2-8H,1H3
InChIKeyODZGGICXISUBGY-UHFFFAOYSA-N
MW265.13 g/mol
LogP4.56
Rot. Bonds1

About 2-bromo-1-fluoro-4-(4-methylphenyl)benzene

2-bromo-1-fluoro-4-(4-methylphenyl)benzene (PubChem CID 115049308) has the molecular formula C13H10BrF and a molecular weight of 265.13 g/mol. Its IUPAC name is 2-bromo-1-fluoro-4-(4-methylphenyl)benzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-4-(4-methylphenyl)benzene
PubChem CID115049308
Molecular FormulaC13H10BrF
Molecular Weight265.13 g/mol
Exact Mass263.99
IUPAC Name2-bromo-1-fluoro-4-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C13H10BrF/c1-9-2-4-10(5-3-9)11-6-7-13(15)12(14)8-11/h2-8H,1H3
InChIKeyODZGGICXISUBGY-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 ≤ 500265.13
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-bromo-1-fluoro-4-phenylbenzene
CID 2773367
2-bromo-1-fluoro-4-(4-isocyanophenyl)benzene
CID 123561617
1-bromo-2-fluoro-5-methyl-4-(4-methylphenyl)benzene
CID 164894591
2-(3-bromo-4-fluorophenyl)-6-methylimidazo[1,2-a]pyridine
CID 113303187
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine
CID 82487191
2-bromo-1-fluoro-4-methylbenzene;ethane;nonane
CID 143643780
2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole
CID 82488398
1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea
CID 115663057
4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole
CID 115047663
1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 62914265
2-fluoro-5-(4-methylphenyl)benzonitrile
CID 164513731

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-4-(4-methylphenyl)benzene?
The IUPAC name of 2-bromo-1-fluoro-4-(4-methylphenyl)benzene (CID 115049308) is 2-bromo-1-fluoro-4-(4-methylphenyl)benzene.
What is the SMILES notation for 2-bromo-1-fluoro-4-(4-methylphenyl)benzene?
The canonical SMILES for 2-bromo-1-fluoro-4-(4-methylphenyl)benzene is Cc1ccc(-c2ccc(F)c(Br)c2)cc1.
What is the InChIKey of 2-bromo-1-fluoro-4-(4-methylphenyl)benzene?
The InChIKey is ODZGGICXISUBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF/c1-9-2-4-10(5-3-9)11-6-7-13(15)12(14)8-11/h2-8H,1H3.
What are the key properties of 2-bromo-1-fluoro-4-(4-methylphenyl)benzene?
2-bromo-1-fluoro-4-(4-methylphenyl)benzene has a molecular weight of 265.13 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 2-bromo-1-fluoro-4-(4-methylphenyl)benzene is sourced from PubChem (CID 115049308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).