2-bromo-4-chloro-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)benzene

C9H4BrCl2F3 — CID 150610926

IUPAC2-bromo-4-chloro-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)benzene
SMILESFC(F)(F)C(Cl)=Cc1ccc(Cl)cc1Br
InChIInChI=1S/C9H4BrCl2F3/c10-7-4-6(11)2-1-5(7)3-8(12)9(13,14)15/h1-4H
InChIKeyITWHTXPYUJOHGF-UHFFFAOYSA-N
MW319.94 g/mol
LogP5.24
Rot. Bonds1

About 2-bromo-4-chloro-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)benzene

2-bromo-4-chloro-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)benzene (PubChem CID 150610926) has the molecular formula C9H4BrCl2F3 and a molecular weight of 319.94 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)benzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)benzene
PubChem CID150610926
Molecular FormulaC9H4BrCl2F3
Molecular Weight319.94 g/mol
Exact Mass317.88
IUPAC Name2-bromo-4-chloro-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)benzene
SMILESFC(F)(F)C(Cl)=Cc1ccc(Cl)cc1Br
InChIInChI=1S/C9H4BrCl2F3/c10-7-4-6(11)2-1-5(7)3-8(12)9(13,14)15/h1-4H
InChIKeyITWHTXPYUJOHGF-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.94
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-bromo-4-chloro-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)benzene?
The IUPAC name of 2-bromo-4-chloro-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)benzene (CID 150610926) is 2-bromo-4-chloro-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)benzene.
What is the SMILES notation for 2-bromo-4-chloro-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)benzene?
The canonical SMILES for 2-bromo-4-chloro-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)benzene is FC(F)(F)C(Cl)=Cc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)benzene?
The InChIKey is ITWHTXPYUJOHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrCl2F3/c10-7-4-6(11)2-1-5(7)3-8(12)9(13,14)15/h1-4H.
What are the key properties of 2-bromo-4-chloro-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)benzene?
2-bromo-4-chloro-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)benzene has a molecular weight of 319.94 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)benzene is sourced from PubChem (CID 150610926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).