1-bromo-3-fluoro-2-(2-fluorophenyl)benzene

C12H7BrF2 — CID 125457696

IUPAC1-bromo-3-fluoro-2-(2-fluorophenyl)benzene
SMILESFc1ccccc1-c1c(F)cccc1Br
InChIInChI=1S/C12H7BrF2/c13-9-5-3-7-11(15)12(9)8-4-1-2-6-10(8)14/h1-7H
InChIKeyTUGWYKZGCNJBBO-UHFFFAOYSA-N
MW269.09 g/mol
LogP4.39
Rot. Bonds1

About 1-bromo-3-fluoro-2-(2-fluorophenyl)benzene

1-bromo-3-fluoro-2-(2-fluorophenyl)benzene (PubChem CID 125457696) has the molecular formula C12H7BrF2 and a molecular weight of 269.09 g/mol. Its IUPAC name is 1-bromo-3-fluoro-2-(2-fluorophenyl)benzene.

Molecular Properties

Compound Name1-bromo-3-fluoro-2-(2-fluorophenyl)benzene
PubChem CID125457696
Molecular FormulaC12H7BrF2
Molecular Weight269.09 g/mol
Exact Mass267.97
IUPAC Name1-bromo-3-fluoro-2-(2-fluorophenyl)benzene
SMILESFc1ccccc1-c1c(F)cccc1Br
InChIInChI=1S/C12H7BrF2/c13-9-5-3-7-11(15)12(9)8-4-1-2-6-10(8)14/h1-7H
InChIKeyTUGWYKZGCNJBBO-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(2-bromo-6-fluorophenyl)-2-methylpyridine
CID 125456196
1-bromo-2-[2-(2-fluorophenyl)phenyl]benzene
CID 168811602
2-(2-fluorophenyl)-1,3-dimethylbenzene
CID 22075461
1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene
CID 146407762
2-(2-bromo-6-fluorophenyl)-5-methylphenol
CID 145447220
9,10-bis(2-fluorophenyl)anthracene
CID 101446406
2-(2-bromo-6-fluorophenyl)-5-chlorobenzenethiol
CID 163240683
4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine
CID 117393162
[3-fluoro-2-(2-fluorophenyl)phenyl]methanol
CID 46312388
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene
CID 46314099
1-fluoro-3-(2-fluorophenyl)-2-phenylbenzene
CID 90908920

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-2-(2-fluorophenyl)benzene?
The IUPAC name of 1-bromo-3-fluoro-2-(2-fluorophenyl)benzene (CID 125457696) is 1-bromo-3-fluoro-2-(2-fluorophenyl)benzene.
What is the SMILES notation for 1-bromo-3-fluoro-2-(2-fluorophenyl)benzene?
The canonical SMILES for 1-bromo-3-fluoro-2-(2-fluorophenyl)benzene is Fc1ccccc1-c1c(F)cccc1Br.
What is the InChIKey of 1-bromo-3-fluoro-2-(2-fluorophenyl)benzene?
The InChIKey is TUGWYKZGCNJBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2/c13-9-5-3-7-11(15)12(9)8-4-1-2-6-10(8)14/h1-7H.
What are the key properties of 1-bromo-3-fluoro-2-(2-fluorophenyl)benzene?
1-bromo-3-fluoro-2-(2-fluorophenyl)benzene has a molecular weight of 269.09 g/mol, XLogP of 4.39, 1 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-(2-fluorophenyl)benzene is sourced from PubChem (CID 125457696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).