2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide

C7H11F3N2O — CID 144653007

IUPAC2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESC=C(CNC)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-5(3-11-2)6(13)12-4-7(8,9)10/h11H,1,3-4H2,2H3,(H,12,13)
InChIKeyRKMTYZOJGYEUPE-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.44
Rot. Bonds4

About 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide

2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide (PubChem CID 144653007) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
PubChem CID144653007
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESC=C(CNC)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-5(3-11-2)6(13)12-4-7(8,9)10/h11H,1,3-4H2,2H3,(H,12,13)
InChIKeyRKMTYZOJGYEUPE-UHFFFAOYSA-N
XLogP0.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Propenamide, N-(3-aminopropyl)-2-methyl-, hydrochloride (1:1)
CID 10375005
N-(3-Aminopropyl) methacrylamide
CID 2734954
3-(2-Methylprop-2-enoylamino)propylazanium
CID 7018867
Methacrylamidopropylammonium chloride
CID 129662477
N-(2,2,3,3,4,4,4-heptafluorobutyl)-2-methylprop-2-enamide
CID 2774888
2,2,2-trifluoro-N-(2-methylprop-2-enyl)acetamide
CID 18970244
2-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide
CID 54438362
N-(2,2,2-Trifluoroethyl)methacrylamide
CID 54450429
N-(2,2-dimethylpropyl)-2-(trifluoromethyl)prop-2-enamide
CID 59860414
N-(2-fluoroethyl)-2-methylprop-2-enamide
CID 87207033
2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
CID 87232237
2-methyl-N-(1,3,3,3-tetrafluoropropyl)prop-2-enamide
CID 87441714

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The IUPAC name of 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide (CID 144653007) is 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide is C=C(CNC)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The InChIKey is RKMTYZOJGYEUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-5(3-11-2)6(13)12-4-7(8,9)10/h11H,1,3-4H2,2H3,(H,12,13).
What are the key properties of 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide has a molecular weight of 196.17 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide is sourced from PubChem (CID 144653007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).