5-bromo-1,3-difluoro-2-(1,2,2-trifluoroethenyl)benzene

C8H2BrF5 — CID 18935729

IUPAC5-bromo-1,3-difluoro-2-(1,2,2-trifluoroethenyl)benzene
SMILESFC(F)=C(F)c1c(F)cc(Br)cc1F
InChIInChI=1S/C8H2BrF5/c9-3-1-4(10)6(5(11)2-3)7(12)8(13)14/h1-2H
InChIKeyOGGXJTHBUPWLMF-UHFFFAOYSA-N
MW273.00 g/mol
LogP4.26
Rot. Bonds1

About 5-bromo-1,3-difluoro-2-(1,2,2-trifluoroethenyl)benzene

5-bromo-1,3-difluoro-2-(1,2,2-trifluoroethenyl)benzene (PubChem CID 18935729) has the molecular formula C8H2BrF5 and a molecular weight of 273.00 g/mol. Its IUPAC name is 5-bromo-1,3-difluoro-2-(1,2,2-trifluoroethenyl)benzene.

Molecular Properties

Compound Name5-bromo-1,3-difluoro-2-(1,2,2-trifluoroethenyl)benzene
PubChem CID18935729
Molecular FormulaC8H2BrF5
Molecular Weight273.00 g/mol
Exact Mass271.93
IUPAC Name5-bromo-1,3-difluoro-2-(1,2,2-trifluoroethenyl)benzene
SMILESFC(F)=C(F)c1c(F)cc(Br)cc1F
InChIInChI=1S/C8H2BrF5/c9-3-1-4(10)6(5(11)2-3)7(12)8(13)14/h1-2H
InChIKeyOGGXJTHBUPWLMF-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.00
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-bromo-1,3-difluoro-2-(1,2,2-trifluoroethenyl)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 5-bromo-1,3-difluoro-2-(1,2,2-trifluoroethenyl)benzene?
The IUPAC name of 5-bromo-1,3-difluoro-2-(1,2,2-trifluoroethenyl)benzene (CID 18935729) is 5-bromo-1,3-difluoro-2-(1,2,2-trifluoroethenyl)benzene.
What is the SMILES notation for 5-bromo-1,3-difluoro-2-(1,2,2-trifluoroethenyl)benzene?
The canonical SMILES for 5-bromo-1,3-difluoro-2-(1,2,2-trifluoroethenyl)benzene is FC(F)=C(F)c1c(F)cc(Br)cc1F.
What is the InChIKey of 5-bromo-1,3-difluoro-2-(1,2,2-trifluoroethenyl)benzene?
The InChIKey is OGGXJTHBUPWLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrF5/c9-3-1-4(10)6(5(11)2-3)7(12)8(13)14/h1-2H.
What are the key properties of 5-bromo-1,3-difluoro-2-(1,2,2-trifluoroethenyl)benzene?
5-bromo-1,3-difluoro-2-(1,2,2-trifluoroethenyl)benzene has a molecular weight of 273.00 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-difluoro-2-(1,2,2-trifluoroethenyl)benzene is sourced from PubChem (CID 18935729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).