N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide

C8H13F3N2O — CID 172624010

IUPACN-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide
SMILESC=C(CN(C)CC(F)(F)F)C(=O)NC
InChIInChI=1S/C8H13F3N2O/c1-6(7(14)12-2)4-13(3)5-8(9,10)11/h1,4-5H2,2-3H3,(H,12,14)
InChIKeyDYXVSBWUSGVJHX-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.78
Rot. Bonds4

About N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide

N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide (PubChem CID 172624010) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide
PubChem CID172624010
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC NameN-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide
SMILESC=C(CN(C)CC(F)(F)F)C(=O)NC
InChIInChI=1S/C8H13F3N2O/c1-6(7(14)12-2)4-13(3)5-8(9,10)11/h1,4-5H2,2-3H3,(H,12,14)
InChIKeyDYXVSBWUSGVJHX-UHFFFAOYSA-N
XLogP0.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2,3,3,4,4,4-heptafluorobutyl)-2-methylprop-2-enamide
CID 2774888
N-(2,2,2-Trifluoroethyl)methacrylamide
CID 54450429
N-(2,2-dimethylpropyl)-2-(trifluoromethyl)prop-2-enamide
CID 59860414
2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
CID 87232237
2-methyl-N-[2,2,3,3-tetrafluoro-4-(2-methylprop-2-enoylamino)butyl]prop-2-enamide
CID 89189787
N-(2,2-difluoroethyl)-2-methylprop-2-enamide
CID 89220788
N-(3,3-difluoropropyl)-2-methylprop-2-enamide
CID 89332583
N-(2,2,3,4,4,4-hexafluorobutyl)-2-methylprop-2-enamide
CID 117856274
2-methyl-N-(2,2,3,3,3-pentafluoropropyl)prop-2-enamide
CID 117856289
(Z)-3-acetamido-2-[[methyl(3,3,3-trifluoroprop-1-en-2-yl)amino]methyl]prop-2-enamide
CID 139388882
ethane;N-ethyl-2-(trifluoromethyl)prop-2-enamide
CID 145527541
N-(3,3-difluorobutyl)-2-methylprop-2-enamide
CID 146204379

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide?
The IUPAC name of N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide (CID 172624010) is N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide.
What is the SMILES notation for N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide?
The canonical SMILES for N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide is C=C(CN(C)CC(F)(F)F)C(=O)NC.
What is the InChIKey of N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide?
The InChIKey is DYXVSBWUSGVJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-6(7(14)12-2)4-13(3)5-8(9,10)11/h1,4-5H2,2-3H3,(H,12,14).
What are the key properties of N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide?
N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide has a molecular weight of 210.20 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide is sourced from PubChem (CID 172624010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).