2-bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene

C20H10BrClF6 — CID 54558536

IUPAC2-bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccccc1-c1ccc(Cl)c(Br)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H10BrClF6/c21-18-16(22)10-9-12(11-5-1-3-7-14(11)19(23,24)25)17(18)13-6-2-4-8-15(13)20(26,27)28/h1-10H
InChIKeyGOYPSOXGZKFRPU-UHFFFAOYSA-N
MW479.65 g/mol
LogP8.47
Rot. Bonds2

About 2-bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene

2-bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene (PubChem CID 54558536) has the molecular formula C20H10BrClF6 and a molecular weight of 479.65 g/mol. Its IUPAC name is 2-bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2-bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene
PubChem CID54558536
Molecular FormulaC20H10BrClF6
Molecular Weight479.65 g/mol
Exact Mass477.96
IUPAC Name2-bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccccc1-c1ccc(Cl)c(Br)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H10BrClF6/c21-18-16(22)10-9-12(11-5-1-3-7-14(11)19(23,24)25)17(18)13-6-2-4-8-15(13)20(26,27)28/h1-10H
InChIKeyGOYPSOXGZKFRPU-UHFFFAOYSA-N
XLogP8.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.65
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene 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

1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene
CID 119000204
4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 118816855
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
2-bromo-1-chloro-3-fluoro-4-(trifluoromethyl)benzene
CID 171032702
4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134630869
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-(trifluoromethyl)benzene
CID 6921
3-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline
CID 134615440
2-chloro-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
CID 119019124
4-chloro-2-methyl-1-[2-(trifluoromethyl)phenyl]benzene
CID 118834049
3-chloro-2-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134630863

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2-bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene (CID 54558536) is 2-bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2-bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2-bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1ccccc1-c1ccc(Cl)c(Br)c1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene?
The InChIKey is GOYPSOXGZKFRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10BrClF6/c21-18-16(22)10-9-12(11-5-1-3-7-14(11)19(23,24)25)17(18)13-6-2-4-8-15(13)20(26,27)28/h1-10H.
What are the key properties of 2-bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene?
2-bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene has a molecular weight of 479.65 g/mol, XLogP of 8.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 54558536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).