4-bromo-2-fluoro-3-(trifluoromethyl)benzonitrile

C8H2BrF4N — CID 131354783

IUPAC4-bromo-2-fluoro-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Br)c(C(F)(F)F)c1F
InChIInChI=1S/C8H2BrF4N/c9-5-2-1-4(3-14)7(10)6(5)8(11,12)13/h1-2H
InChIKeyYJJVHXMIQQFXRY-UHFFFAOYSA-N
MW268.01 g/mol
LogP3.48
Rot. Bonds

About 4-bromo-2-fluoro-3-(trifluoromethyl)benzonitrile

4-bromo-2-fluoro-3-(trifluoromethyl)benzonitrile (PubChem CID 131354783) has the molecular formula C8H2BrF4N and a molecular weight of 268.01 g/mol. Its IUPAC name is 4-bromo-2-fluoro-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-bromo-2-fluoro-3-(trifluoromethyl)benzonitrile
PubChem CID131354783
Molecular FormulaC8H2BrF4N
Molecular Weight268.01 g/mol
Exact Mass266.93
IUPAC Name4-bromo-2-fluoro-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Br)c(C(F)(F)F)c1F
InChIInChI=1S/C8H2BrF4N/c9-5-2-1-4(3-14)7(10)6(5)8(11,12)13/h1-2H
InChIKeyYJJVHXMIQQFXRY-UHFFFAOYSA-N
XLogP3.48
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.01
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 131335396
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2-bromo-3-fluoro-4-(trifluoromethyl)benzonitrile
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2-[[4-bromo-2-fluoro-3-(trifluoromethyl)anilino]methylidene]propanedinitrile
CID 168543303
3-chloro-4-fluoro-2-(trifluoromethyl)benzonitrile
CID 131093510
4-bromo-2-fluoro-3-(methoxymethyl)benzonitrile
CID 170557800
4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
CID 19358335
4-cyano-N'-[4-cyano-3-fluoro-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzohydrazide
CID 169155589
4-cyano-2-fluoro-3-(trifluoromethyl)benzenesulfonyl chloride
CID 118816589
4-bromo-2-fluoro-3,5-dimethylbenzonitrile;4-bromo-2-fluoro-3-methylbenzonitrile
CID 159254709

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-bromo-2-fluoro-3-(trifluoromethyl)benzonitrile (CID 131354783) is 4-bromo-2-fluoro-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-bromo-2-fluoro-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-bromo-2-fluoro-3-(trifluoromethyl)benzonitrile is N#Cc1ccc(Br)c(C(F)(F)F)c1F.
What is the InChIKey of 4-bromo-2-fluoro-3-(trifluoromethyl)benzonitrile?
The InChIKey is YJJVHXMIQQFXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrF4N/c9-5-2-1-4(3-14)7(10)6(5)8(11,12)13/h1-2H.
What are the key properties of 4-bromo-2-fluoro-3-(trifluoromethyl)benzonitrile?
4-bromo-2-fluoro-3-(trifluoromethyl)benzonitrile has a molecular weight of 268.01 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 131354783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).