2-methyl-N-[1,1,1-trifluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]prop-2-enamide

C10H10F6N2O3 — CID 134463282

IUPAC2-methyl-N-[1,1,1-trifluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]prop-2-enamide
SMILESC=C(C)C(=O)NC(C(=O)N(C)C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6N2O3/c1-4(2)6(19)17-5(9(11,12)13)7(20)18(3)8(21)10(14,15)16/h5H,1H2,2-3H3,(H,17,19)
InChIKeyXVEKJZJPWNHOQJ-UHFFFAOYSA-N
MW320.19 g/mol
LogP1.16
Rot. Bonds3

About 2-methyl-N-[1,1,1-trifluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]prop-2-enamide

2-methyl-N-[1,1,1-trifluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]prop-2-enamide (PubChem CID 134463282) has the molecular formula C10H10F6N2O3 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-methyl-N-[1,1,1-trifluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[1,1,1-trifluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]prop-2-enamide
PubChem CID134463282
Molecular FormulaC10H10F6N2O3
Molecular Weight320.19 g/mol
Exact Mass320.06
IUPAC Name2-methyl-N-[1,1,1-trifluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]prop-2-enamide
SMILESC=C(C)C(=O)NC(C(=O)N(C)C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6N2O3/c1-4(2)6(19)17-5(9(11,12)13)7(20)18(3)8(21)10(14,15)16/h5H,1H2,2-3H3,(H,17,19)
InChIKeyXVEKJZJPWNHOQJ-UHFFFAOYSA-N
XLogP1.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1,1,1-trifluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[1,1,1-trifluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]prop-2-enamide (CID 134463282) is 2-methyl-N-[1,1,1-trifluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[1,1,1-trifluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[1,1,1-trifluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]prop-2-enamide is C=C(C)C(=O)NC(C(=O)N(C)C(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[1,1,1-trifluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]prop-2-enamide?
The InChIKey is XVEKJZJPWNHOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6N2O3/c1-4(2)6(19)17-5(9(11,12)13)7(20)18(3)8(21)10(14,15)16/h5H,1H2,2-3H3,(H,17,19).
What are the key properties of 2-methyl-N-[1,1,1-trifluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]prop-2-enamide?
2-methyl-N-[1,1,1-trifluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]prop-2-enamide has a molecular weight of 320.19 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1,1,1-trifluoro-3-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropan-2-yl]prop-2-enamide is sourced from PubChem (CID 134463282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).