1-bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)benzene

C13H7BrClF3 — CID 125492769

IUPAC1-bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(-c2cccc(Cl)c2)ccc1Br
InChIInChI=1S/C13H7BrClF3/c14-12-5-4-9(7-11(12)13(16,17)18)8-2-1-3-10(15)6-8/h1-7H
InChIKeyJQTOXXVTFKBDBX-UHFFFAOYSA-N
MW335.55 g/mol
LogP5.79
Rot. Bonds1

About 1-bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)benzene

1-bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)benzene (PubChem CID 125492769) has the molecular formula C13H7BrClF3 and a molecular weight of 335.55 g/mol. Its IUPAC name is 1-bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)benzene
PubChem CID125492769
Molecular FormulaC13H7BrClF3
Molecular Weight335.55 g/mol
Exact Mass333.94
IUPAC Name1-bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(-c2cccc(Cl)c2)ccc1Br
InChIInChI=1S/C13H7BrClF3/c14-12-5-4-9(7-11(12)13(16,17)18)8-2-1-3-10(15)6-8/h1-7H
InChIKeyJQTOXXVTFKBDBX-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.55
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)benzene (CID 125492769) is 1-bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)benzene is FC(F)(F)c1cc(-c2cccc(Cl)c2)ccc1Br.
What is the InChIKey of 1-bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)benzene?
The InChIKey is JQTOXXVTFKBDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF3/c14-12-5-4-9(7-11(12)13(16,17)18)8-2-1-3-10(15)6-8/h1-7H.
What are the key properties of 1-bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)benzene?
1-bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)benzene has a molecular weight of 335.55 g/mol, XLogP of 5.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 125492769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).