3-cyano-4-fluoro-2-(trifluoromethyl)benzamide

C9H4F4N2O — CID 171015989

IUPAC3-cyano-4-fluoro-2-(trifluoromethyl)benzamide
SMILESN#Cc1c(F)ccc(C(N)=O)c1C(F)(F)F
InChIInChI=1S/C9H4F4N2O/c10-6-2-1-4(8(15)16)7(5(6)3-14)9(11,12)13/h1-2H,(H2,15,16)
InChIKeyNDUOGBFWXKCZDD-UHFFFAOYSA-N
MW232.14 g/mol
LogP1.82
Rot. Bonds1

About 3-cyano-4-fluoro-2-(trifluoromethyl)benzamide

3-cyano-4-fluoro-2-(trifluoromethyl)benzamide (PubChem CID 171015989) has the molecular formula C9H4F4N2O and a molecular weight of 232.14 g/mol. Its IUPAC name is 3-cyano-4-fluoro-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-cyano-4-fluoro-2-(trifluoromethyl)benzamide
PubChem CID171015989
Molecular FormulaC9H4F4N2O
Molecular Weight232.14 g/mol
Exact Mass232.03
IUPAC Name3-cyano-4-fluoro-2-(trifluoromethyl)benzamide
SMILESN#Cc1c(F)ccc(C(N)=O)c1C(F)(F)F
InChIInChI=1S/C9H4F4N2O/c10-6-2-1-4(8(15)16)7(5(6)3-14)9(11,12)13/h1-2H,(H2,15,16)
InChIKeyNDUOGBFWXKCZDD-UHFFFAOYSA-N
XLogP1.82
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-3,4-difluorobenzamide
CID 131009208
3-cyano-2-fluoro-4-(trifluoromethyl)benzamide
CID 171015886
2-amino-4-fluoro-3-(trifluoromethyl)benzamide
CID 118998970
2-cyano-4-formyl-3-(trifluoromethyl)benzamide
CID 171011932
2,6-difluoro-3-(2,2,2-trifluoroacetyl)benzonitrile
CID 83410573
3-fluoro-2-(trifluoromethyl)benzamide
CID 2774778
3-bromo-6-fluoro-2-(trifluoromethyl)benzonitrile
CID 131335396
4-hydroxy-2,3-bis(trifluoromethyl)benzamide
CID 118854529
3-cyano-5-fluoro-2-(trifluoromethyl)benzamide
CID 171031115
2-cyano-3-fluoro-4-iodobenzamide
CID 171021891
3-cyano-4-methyl-2-(trifluoromethyl)benzoyl chloride
CID 171028208
2-cyano-5-methyl-3-(trifluoromethyl)benzamide
CID 171031445

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluoro-2-(trifluoromethyl)benzamide?
The IUPAC name of 3-cyano-4-fluoro-2-(trifluoromethyl)benzamide (CID 171015989) is 3-cyano-4-fluoro-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-cyano-4-fluoro-2-(trifluoromethyl)benzamide?
The canonical SMILES for 3-cyano-4-fluoro-2-(trifluoromethyl)benzamide is N#Cc1c(F)ccc(C(N)=O)c1C(F)(F)F.
What is the InChIKey of 3-cyano-4-fluoro-2-(trifluoromethyl)benzamide?
The InChIKey is NDUOGBFWXKCZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F4N2O/c10-6-2-1-4(8(15)16)7(5(6)3-14)9(11,12)13/h1-2H,(H2,15,16).
What are the key properties of 3-cyano-4-fluoro-2-(trifluoromethyl)benzamide?
3-cyano-4-fluoro-2-(trifluoromethyl)benzamide has a molecular weight of 232.14 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluoro-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 171015989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).