2-methyl-N-(2,2,2-trifluoroacetyl)-N-(trifluoromethyl)prop-2-enamide

C7H5F6NO2 — CID 134463190

IUPAC2-methyl-N-(2,2,2-trifluoroacetyl)-N-(trifluoromethyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F6NO2/c1-3(2)4(15)14(7(11,12)13)5(16)6(8,9)10/h1H2,2H3
InChIKeyXRILNMXDSNHRAQ-UHFFFAOYSA-N
MW249.11 g/mol
LogP2.00
Rot. Bonds1

About 2-methyl-N-(2,2,2-trifluoroacetyl)-N-(trifluoromethyl)prop-2-enamide

2-methyl-N-(2,2,2-trifluoroacetyl)-N-(trifluoromethyl)prop-2-enamide (PubChem CID 134463190) has the molecular formula C7H5F6NO2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroacetyl)-N-(trifluoromethyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroacetyl)-N-(trifluoromethyl)prop-2-enamide
PubChem CID134463190
Molecular FormulaC7H5F6NO2
Molecular Weight249.11 g/mol
Exact Mass249.02
IUPAC Name2-methyl-N-(2,2,2-trifluoroacetyl)-N-(trifluoromethyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F6NO2/c1-3(2)4(15)14(7(11,12)13)5(16)6(8,9)10/h1H2,2H3
InChIKeyXRILNMXDSNHRAQ-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(1,1,2,2,3,3-hexafluoropropyl)-2-methylprop-2-enamide
CID 87441605
N-(2,2,2-trifluoroacetyl)methacrylamide
CID 119098435
2-methyl-N-(trifluoromethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
CID 134463206
2,2-dimethyl-N-(2-methylprop-2-enoyl)-N-(trifluoromethyl)propanamide
CID 134463228
2-methyl-N-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
CID 134465597
2-methyl-N,N-bis(1,1,3,3,3-pentafluoropropyl)prop-2-enamide
CID 139789970
N,N-bis(1,1,2,2,4,4,4-heptafluorobutyl)-2-methylprop-2-enamide
CID 139789971
2-methyl-N-(1,1,2,2,2-pentafluoroethyl)prop-2-enamide
CID 154256648
N-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylprop-2-enamide
CID 172839538
3-Methyl-1-(trifluoromethyl)pyrrole-2,5-dione
CID 174449567

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroacetyl)-N-(trifluoromethyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroacetyl)-N-(trifluoromethyl)prop-2-enamide (CID 134463190) is 2-methyl-N-(2,2,2-trifluoroacetyl)-N-(trifluoromethyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroacetyl)-N-(trifluoromethyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroacetyl)-N-(trifluoromethyl)prop-2-enamide is C=C(C)C(=O)N(C(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroacetyl)-N-(trifluoromethyl)prop-2-enamide?
The InChIKey is XRILNMXDSNHRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F6NO2/c1-3(2)4(15)14(7(11,12)13)5(16)6(8,9)10/h1H2,2H3.
What are the key properties of 2-methyl-N-(2,2,2-trifluoroacetyl)-N-(trifluoromethyl)prop-2-enamide?
2-methyl-N-(2,2,2-trifluoroacetyl)-N-(trifluoromethyl)prop-2-enamide has a molecular weight of 249.11 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroacetyl)-N-(trifluoromethyl)prop-2-enamide is sourced from PubChem (CID 134463190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).