N-[(1R)-1-cyano-2,2-dimethylpropyl]-2,2,2-trifluoro-N-prop-2-enylacetamide

C11H15F3N2O — CID 11322603

IUPACN-[(1R)-1-cyano-2,2-dimethylpropyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)C(F)(F)F)[C@@H](C#N)C(C)(C)C
InChIInChI=1S/C11H15F3N2O/c1-5-6-16(9(17)11(12,13)14)8(7-15)10(2,3)4/h5,8H,1,6H2,2-4H3/t8-/m0/s1
InChIKeyIFKVAQRWDTXVID-QMMMGPOBSA-N
MW248.25 g/mol
LogP2.50
Rot. Bonds3

About N-[(1R)-1-cyano-2,2-dimethylpropyl]-2,2,2-trifluoro-N-prop-2-enylacetamide

N-[(1R)-1-cyano-2,2-dimethylpropyl]-2,2,2-trifluoro-N-prop-2-enylacetamide (PubChem CID 11322603) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is N-[(1R)-1-cyano-2,2-dimethylpropyl]-2,2,2-trifluoro-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-2,2-dimethylpropyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
PubChem CID11322603
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC NameN-[(1R)-1-cyano-2,2-dimethylpropyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)C(F)(F)F)[C@@H](C#N)C(C)(C)C
InChIInChI=1S/C11H15F3N2O/c1-5-6-16(9(17)11(12,13)14)8(7-15)10(2,3)4/h5,8H,1,6H2,2-4H3/t8-/m0/s1
InChIKeyIFKVAQRWDTXVID-QMMMGPOBSA-N
XLogP2.50
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyano-2,2-dimethylpropyl)-N-ethyl-2,2,2-trifluoroacetamide
CID 23566324
N-[(R)-cyano-(3-methylphenyl)methyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 134917173
(2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]butanoic acid;hydrochloride
CID 140980370
2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide
CID 58683581
2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide
CID 115776126
tert-butyl 2-(4-bromo-N-prop-2-enoxyanilino)-2-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]acetate
CID 101422469
N-benzyl-N-(1-cyano-2-methylpropyl)-2,2,2-trifluoroacetamide
CID 101197575
N-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide
CID 102158521
3-methyl-1-propan-2-yl-1-prop-2-enylurea
CID 115588417
N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 15814421
4-cyano-N-propan-2-yl-N-prop-2-enylbenzamide
CID 113221979
3-tert-butyl-1-propan-2-yl-1-prop-2-enylurea
CID 115585835

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-2,2-dimethylpropyl]-2,2,2-trifluoro-N-prop-2-enylacetamide?
The IUPAC name of N-[(1R)-1-cyano-2,2-dimethylpropyl]-2,2,2-trifluoro-N-prop-2-enylacetamide (CID 11322603) is N-[(1R)-1-cyano-2,2-dimethylpropyl]-2,2,2-trifluoro-N-prop-2-enylacetamide.
What is the SMILES notation for N-[(1R)-1-cyano-2,2-dimethylpropyl]-2,2,2-trifluoro-N-prop-2-enylacetamide?
The canonical SMILES for N-[(1R)-1-cyano-2,2-dimethylpropyl]-2,2,2-trifluoro-N-prop-2-enylacetamide is C=CCN(C(=O)C(F)(F)F)[C@@H](C#N)C(C)(C)C.
What is the InChIKey of N-[(1R)-1-cyano-2,2-dimethylpropyl]-2,2,2-trifluoro-N-prop-2-enylacetamide?
The InChIKey is IFKVAQRWDTXVID-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-5-6-16(9(17)11(12,13)14)8(7-15)10(2,3)4/h5,8H,1,6H2,2-4H3/t8-/m0/s1.
What are the key properties of N-[(1R)-1-cyano-2,2-dimethylpropyl]-2,2,2-trifluoro-N-prop-2-enylacetamide?
N-[(1R)-1-cyano-2,2-dimethylpropyl]-2,2,2-trifluoro-N-prop-2-enylacetamide has a molecular weight of 248.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-2,2-dimethylpropyl]-2,2,2-trifluoro-N-prop-2-enylacetamide is sourced from PubChem (CID 11322603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).