1-bromo-4-fluoro-2-(trifluoromethyl)benzene

C7H3BrF4 — CID 520983

IUPAC1-bromo-4-fluoro-2-(trifluoromethyl)benzene
SMILESFc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C7H3BrF4/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H
InChIKeyAIDVAZGOACECLJ-UHFFFAOYSA-N
MW243.00 g/mol
LogP3.61
Rot. Bonds

About 1-bromo-4-fluoro-2-(trifluoromethyl)benzene

1-bromo-4-fluoro-2-(trifluoromethyl)benzene (PubChem CID 520983) has the molecular formula C7H3BrF4 and a molecular weight of 243.00 g/mol. Its IUPAC name is 1-bromo-4-fluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-fluoro-2-(trifluoromethyl)benzene
PubChem CID520983
Molecular FormulaC7H3BrF4
Molecular Weight243.00 g/mol
Exact Mass241.94
IUPAC Name1-bromo-4-fluoro-2-(trifluoromethyl)benzene
SMILESFc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C7H3BrF4/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H
InChIKeyAIDVAZGOACECLJ-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 1-bromo-4-fluoro-2-(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 1-bromo-4-fluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-4-fluoro-2-(trifluoromethyl)benzene (CID 520983) is 1-bromo-4-fluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-4-fluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-4-fluoro-2-(trifluoromethyl)benzene is Fc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 1-bromo-4-fluoro-2-(trifluoromethyl)benzene?
The InChIKey is AIDVAZGOACECLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF4/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H.
What are the key properties of 1-bromo-4-fluoro-2-(trifluoromethyl)benzene?
1-bromo-4-fluoro-2-(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 1-bromo-4-fluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 520983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).