N-(2-cyano-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C11H5F7N2O — CID 103309883

IUPACN-(2-cyano-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESN#Cc1cc(F)ccc1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H5F7N2O/c12-6-1-2-7(5(3-6)4-19)20-9(21)8(10(13,14)15)11(16,17)18/h1-3,8H,(H,20,21)
InChIKeyIHJIZFQJJZLWOS-UHFFFAOYSA-N
MW314.16 g/mol
LogP3.38
Rot. Bonds2

About N-(2-cyano-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(2-cyano-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103309883) has the molecular formula C11H5F7N2O and a molecular weight of 314.16 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103309883
Molecular FormulaC11H5F7N2O
Molecular Weight314.16 g/mol
Exact Mass314.03
IUPAC NameN-(2-cyano-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESN#Cc1cc(F)ccc1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H5F7N2O/c12-6-1-2-7(5(3-6)4-19)20-9(21)8(10(13,14)15)11(16,17)18/h1-3,8H,(H,20,21)
InChIKeyIHJIZFQJJZLWOS-UHFFFAOYSA-N
XLogP3.38
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyano-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103739884
1-(2-cyano-4-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115577068
1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 115279853
2-cyano-N-(2-cyano-4-fluorophenyl)butanamide
CID 82015517
1-(2-cyano-4-fluorophenyl)-3-(3,3,3-trifluoropropyl)urea
CID 78894621
1-(2-cyano-4-fluorophenyl)-3-(3-methylbutan-2-yl)urea
CID 78839868
1-(2-cyano-4-fluorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 97025761
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
N-(2-cyano-4-fluorophenyl)-3,3-dimethylbutanamide
CID 79953681
(2S)-2-amino-N-(2-cyano-4-fluorophenyl)-3-phenylpropanamide
CID 82682946
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
(2R)-2-amino-N-(2-cyano-4-fluorophenyl)-4-methylsulfanylbutanamide
CID 104908920

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103309883) is N-(2-cyano-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is N#Cc1cc(F)ccc1NC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is IHJIZFQJJZLWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F7N2O/c12-6-1-2-7(5(3-6)4-19)20-9(21)8(10(13,14)15)11(16,17)18/h1-3,8H,(H,20,21).
What are the key properties of N-(2-cyano-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(2-cyano-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 314.16 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103309883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).