2-bromo-1-fluoro-3-(trifluoromethyl)benzene

C7H3BrF4 — CID 517847

IUPAC2-bromo-1-fluoro-3-(trifluoromethyl)benzene
SMILESFc1cccc(C(F)(F)F)c1Br
InChIInChI=1S/C7H3BrF4/c8-6-4(7(10,11)12)2-1-3-5(6)9/h1-3H
InChIKeyUERAGXKMOXUWPC-UHFFFAOYSA-N
MW243.00 g/mol
LogP3.61
Rot. Bonds

About 2-bromo-1-fluoro-3-(trifluoromethyl)benzene

2-bromo-1-fluoro-3-(trifluoromethyl)benzene (PubChem CID 517847) has the molecular formula C7H3BrF4 and a molecular weight of 243.00 g/mol. Its IUPAC name is 2-bromo-1-fluoro-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-3-(trifluoromethyl)benzene
PubChem CID517847
Molecular FormulaC7H3BrF4
Molecular Weight243.00 g/mol
Exact Mass241.94
IUPAC Name2-bromo-1-fluoro-3-(trifluoromethyl)benzene
SMILESFc1cccc(C(F)(F)F)c1Br
InChIInChI=1S/C7H3BrF4/c8-6-4(7(10,11)12)2-1-3-5(6)9/h1-3H
InChIKeyUERAGXKMOXUWPC-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.00
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-bromo-1-fluoro-3-(trifluoromethyl)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-1-fluoro-3-(trifluoromethyl)benzene?
The IUPAC name of 2-bromo-1-fluoro-3-(trifluoromethyl)benzene (CID 517847) is 2-bromo-1-fluoro-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-bromo-1-fluoro-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-bromo-1-fluoro-3-(trifluoromethyl)benzene is Fc1cccc(C(F)(F)F)c1Br.
What is the InChIKey of 2-bromo-1-fluoro-3-(trifluoromethyl)benzene?
The InChIKey is UERAGXKMOXUWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF4/c8-6-4(7(10,11)12)2-1-3-5(6)9/h1-3H.
What are the key properties of 2-bromo-1-fluoro-3-(trifluoromethyl)benzene?
2-bromo-1-fluoro-3-(trifluoromethyl)benzene has a molecular weight of 243.00 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoro-3-(trifluoromethyl)benzene is sourced from PubChem (CID 517847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).