2-bromo-6-fluoro-3-(trifluoromethoxy)benzonitrile

C8H2BrF4NO — CID 166638347

IUPAC2-bromo-6-fluoro-3-(trifluoromethoxy)benzonitrile
SMILESN#Cc1c(F)ccc(OC(F)(F)F)c1Br
InChIInChI=1S/C8H2BrF4NO/c9-7-4(3-14)5(10)1-2-6(7)15-8(11,12)13/h1-2H
InChIKeyQCIJHYZHRNHYMD-UHFFFAOYSA-N
MW284.01 g/mol
LogP3.36
Rot. Bonds1

About 2-bromo-6-fluoro-3-(trifluoromethoxy)benzonitrile

2-bromo-6-fluoro-3-(trifluoromethoxy)benzonitrile (PubChem CID 166638347) has the molecular formula C8H2BrF4NO and a molecular weight of 284.01 g/mol. Its IUPAC name is 2-bromo-6-fluoro-3-(trifluoromethoxy)benzonitrile.

Molecular Properties

Compound Name2-bromo-6-fluoro-3-(trifluoromethoxy)benzonitrile
PubChem CID166638347
Molecular FormulaC8H2BrF4NO
Molecular Weight284.01 g/mol
Exact Mass282.93
IUPAC Name2-bromo-6-fluoro-3-(trifluoromethoxy)benzonitrile
SMILESN#Cc1c(F)ccc(OC(F)(F)F)c1Br
InChIInChI=1S/C8H2BrF4NO/c9-7-4(3-14)5(10)1-2-6(7)15-8(11,12)13/h1-2H
InChIKeyQCIJHYZHRNHYMD-UHFFFAOYSA-N
XLogP3.36
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.01
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-6-fluoro-3-(trifluoromethoxy)benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-2-bromo-6-(trifluoromethoxy)benzonitrile
CID 131296547
methyl 3-bromo-2-cyano-4-(trifluoromethoxy)benzoate
CID 134645809
ethyl 2-[3-bromo-2-cyano-4-(trifluoromethoxy)phenyl]acetate
CID 134652711
2-bromo-3-fluoro-6-(trifluoromethoxy)aniline
CID 118995381
4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118804853
4-bromo-2-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118839363
2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene
CID 118819001
3-bromo-6-fluoro-2-(trifluoromethyl)benzonitrile
CID 131335396
4-bromo-2-nitro-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118810479
5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279482
2-bromo-6-iodo-3-(trifluoromethoxy)aniline
CID 119002168
6-fluoro-2-hydroxy-3-methoxybenzonitrile
CID 117276436

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-3-(trifluoromethoxy)benzonitrile?
The IUPAC name of 2-bromo-6-fluoro-3-(trifluoromethoxy)benzonitrile (CID 166638347) is 2-bromo-6-fluoro-3-(trifluoromethoxy)benzonitrile.
What is the SMILES notation for 2-bromo-6-fluoro-3-(trifluoromethoxy)benzonitrile?
The canonical SMILES for 2-bromo-6-fluoro-3-(trifluoromethoxy)benzonitrile is N#Cc1c(F)ccc(OC(F)(F)F)c1Br.
What is the InChIKey of 2-bromo-6-fluoro-3-(trifluoromethoxy)benzonitrile?
The InChIKey is QCIJHYZHRNHYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrF4NO/c9-7-4(3-14)5(10)1-2-6(7)15-8(11,12)13/h1-2H.
What are the key properties of 2-bromo-6-fluoro-3-(trifluoromethoxy)benzonitrile?
2-bromo-6-fluoro-3-(trifluoromethoxy)benzonitrile has a molecular weight of 284.01 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-3-(trifluoromethoxy)benzonitrile is sourced from PubChem (CID 166638347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).