N-[cyano-[4-(trifluoromethyl)phenyl]methyl]-2,2,2-trifluoroacetamide

C11H6F6N2O — CID 19931244

IUPACN-[cyano-[4-(trifluoromethyl)phenyl]methyl]-2,2,2-trifluoroacetamide
SMILESN#CC(NC(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H6F6N2O/c12-10(13,14)7-3-1-6(2-4-7)8(5-18)19-9(20)11(15,16)17/h1-4,8H,(H,19,20)
InChIKeyIENUHRRVTJBWPC-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.95
Rot. Bonds2

About N-[cyano-[4-(trifluoromethyl)phenyl]methyl]-2,2,2-trifluoroacetamide

N-[cyano-[4-(trifluoromethyl)phenyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 19931244) has the molecular formula C11H6F6N2O and a molecular weight of 296.17 g/mol. Its IUPAC name is N-[cyano-[4-(trifluoromethyl)phenyl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[cyano-[4-(trifluoromethyl)phenyl]methyl]-2,2,2-trifluoroacetamide
PubChem CID19931244
Molecular FormulaC11H6F6N2O
Molecular Weight296.17 g/mol
Exact Mass296.04
IUPAC NameN-[cyano-[4-(trifluoromethyl)phenyl]methyl]-2,2,2-trifluoroacetamide
SMILESN#CC(NC(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H6F6N2O/c12-10(13,14)7-3-1-6(2-4-7)8(5-18)19-9(20)11(15,16)17/h1-4,8H,(H,19,20)
InChIKeyIENUHRRVTJBWPC-UHFFFAOYSA-N
XLogP2.95
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Benzyl-2,2,2-trifluoroethanimidic acid
CID 230121
2,2,2-trifluoro-N-(1-phenylethyl)acetamide
CID 529470
N-Benzyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 563921
N-Benzyl-2,2,3,3,3-pentafluoropropionamide
CID 120575
2-cyano-N-((4-fluorophenyl)methyl)acetamide
CID 4183587
2-cyano-N-(1-phenylethyl)acetamide
CID 5006670
2,2,3,3,4,4,4-Heptafluoro-N-(1-phenylethyl)butanamide
CID 571344
N-benzhydryl-2,2,2-trifluoroacetamide
CID 870972
2,2,2-trifluoro-N-[(4-fluorophenyl)methyl]acetamide
CID 572844
2,2,2-Trifluoro-N-[(1S)-1-phenylethyl]acetamide
CID 778452
2,2,2-Trifluoro-n-[(1r)-1-phenylethyl]acetamide
CID 778453
N-[4-(trifluoromethyl)benzyl]acetamide
CID 23132710

Frequently Asked Questions

What is the IUPAC name of N-[cyano-[4-(trifluoromethyl)phenyl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[cyano-[4-(trifluoromethyl)phenyl]methyl]-2,2,2-trifluoroacetamide (CID 19931244) is N-[cyano-[4-(trifluoromethyl)phenyl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[cyano-[4-(trifluoromethyl)phenyl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[cyano-[4-(trifluoromethyl)phenyl]methyl]-2,2,2-trifluoroacetamide is N#CC(NC(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[cyano-[4-(trifluoromethyl)phenyl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is IENUHRRVTJBWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6N2O/c12-10(13,14)7-3-1-6(2-4-7)8(5-18)19-9(20)11(15,16)17/h1-4,8H,(H,19,20).
What are the key properties of N-[cyano-[4-(trifluoromethyl)phenyl]methyl]-2,2,2-trifluoroacetamide?
N-[cyano-[4-(trifluoromethyl)phenyl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 296.17 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-[4-(trifluoromethyl)phenyl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 19931244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).