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

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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).