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

C13H7BrClF3 — CID 170795050

IUPAC1-bromo-2-(4-chlorophenyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(Br)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H7BrClF3/c14-12-6-3-9(13(16,17)18)7-11(12)8-1-4-10(15)5-2-8/h1-7H
InChIKeyDOJBWYLVIIXJFG-UHFFFAOYSA-N
MW335.55 g/mol
LogP5.79
Rot. Bonds1

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

1-bromo-2-(4-chlorophenyl)-4-(trifluoromethyl)benzene (PubChem CID 170795050) has the molecular formula C13H7BrClF3 and a molecular weight of 335.55 g/mol. Its IUPAC name is 1-bromo-2-(4-chlorophenyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(4-chlorophenyl)-4-(trifluoromethyl)benzene
PubChem CID170795050
Molecular FormulaC13H7BrClF3
Molecular Weight335.55 g/mol
Exact Mass333.94
IUPAC Name1-bromo-2-(4-chlorophenyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(Br)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H7BrClF3/c14-12-6-3-9(13(16,17)18)7-11(12)8-1-4-10(15)5-2-8/h1-7H
InChIKeyDOJBWYLVIIXJFG-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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Related Compounds

1-bromo-2-(4-methoxyphenyl)-4-(trifluoromethyl)benzene
CID 102110780
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene
CID 162568601
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
3-[2-bromo-5-(trifluoromethyl)phenyl]benzaldehyde
CID 170795046
4-tert-butyl-2-(4-chlorophenyl)-1-fluorobenzene
CID 58049394
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964
2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 134619443
4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde
CID 83810230
2-chloro-1,3-difluoro-4-[4-(trifluoromethyl)phenyl]benzene
CID 134625909
1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271329
1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 134618163

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(4-chlorophenyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-2-(4-chlorophenyl)-4-(trifluoromethyl)benzene (CID 170795050) is 1-bromo-2-(4-chlorophenyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-2-(4-chlorophenyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-2-(4-chlorophenyl)-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(Br)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-bromo-2-(4-chlorophenyl)-4-(trifluoromethyl)benzene?
The InChIKey is DOJBWYLVIIXJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF3/c14-12-6-3-9(13(16,17)18)7-11(12)8-1-4-10(15)5-2-8/h1-7H.
What are the key properties of 1-bromo-2-(4-chlorophenyl)-4-(trifluoromethyl)benzene?
1-bromo-2-(4-chlorophenyl)-4-(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-2-(4-chlorophenyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 170795050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).