N-(1-cyano-2,2-dimethylpropyl)-N-ethyl-2,2,2-trifluoroacetamide

C10H15F3N2O — CID 23566324

IUPACN-(1-cyano-2,2-dimethylpropyl)-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCN(C(=O)C(F)(F)F)C(C#N)C(C)(C)C
InChIInChI=1S/C10H15F3N2O/c1-5-15(8(16)10(11,12)13)7(6-14)9(2,3)4/h7H,5H2,1-4H3
InChIKeyWGWHOWAWGBVZCB-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.34
Rot. Bonds2

About N-(1-cyano-2,2-dimethylpropyl)-N-ethyl-2,2,2-trifluoroacetamide

N-(1-cyano-2,2-dimethylpropyl)-N-ethyl-2,2,2-trifluoroacetamide (PubChem CID 23566324) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is N-(1-cyano-2,2-dimethylpropyl)-N-ethyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-cyano-2,2-dimethylpropyl)-N-ethyl-2,2,2-trifluoroacetamide
PubChem CID23566324
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC NameN-(1-cyano-2,2-dimethylpropyl)-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCN(C(=O)C(F)(F)F)C(C#N)C(C)(C)C
InChIInChI=1S/C10H15F3N2O/c1-5-15(8(16)10(11,12)13)7(6-14)9(2,3)4/h7H,5H2,1-4H3
InChIKeyWGWHOWAWGBVZCB-UHFFFAOYSA-N
XLogP2.34
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cyano-2,2-dimethylpropyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 11322603
diethyl 2-[3,3-dicyanopropyl-(2,2,2-trifluoroacetyl)amino]propanedioate
CID 101156758
N-benzyl-N-(1-cyano-2-methylpropyl)-2,2,2-trifluoroacetamide
CID 101197575
(2S)-4-chloro-2-[ethyl-(2,2,2-trifluoroacetyl)amino]-4-oxobutanoic acid
CID 86620467
N-(1-cyanopropyl)-N-ethylcarbamoyl fluoride
CID 145324405
N-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide
CID 102158521
2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide
CID 114291087
N-ethyl-2,2,2-trifluoro-N-methylacetamide
CID 57170952
2,2,2-trifluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592645
N-benzyl-N-[(1R)-1-cyanohexyl]-2,2,2-trifluoroacetamide
CID 134917005
N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide
CID 62491296
N-(2-amino-2-oxoethyl)-2-cyano-N-ethyl-2-methylpropanamide
CID 103102368

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2,2-dimethylpropyl)-N-ethyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-cyano-2,2-dimethylpropyl)-N-ethyl-2,2,2-trifluoroacetamide (CID 23566324) is N-(1-cyano-2,2-dimethylpropyl)-N-ethyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-cyano-2,2-dimethylpropyl)-N-ethyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-cyano-2,2-dimethylpropyl)-N-ethyl-2,2,2-trifluoroacetamide is CCN(C(=O)C(F)(F)F)C(C#N)C(C)(C)C.
What is the InChIKey of N-(1-cyano-2,2-dimethylpropyl)-N-ethyl-2,2,2-trifluoroacetamide?
The InChIKey is WGWHOWAWGBVZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-5-15(8(16)10(11,12)13)7(6-14)9(2,3)4/h7H,5H2,1-4H3.
What are the key properties of N-(1-cyano-2,2-dimethylpropyl)-N-ethyl-2,2,2-trifluoroacetamide?
N-(1-cyano-2,2-dimethylpropyl)-N-ethyl-2,2,2-trifluoroacetamide has a molecular weight of 236.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2,2-dimethylpropyl)-N-ethyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 23566324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).