N-ethyl-2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide

C9H12F3NO2 — CID 134463191

IUPACN-ethyl-2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CC)C(=O)CC(F)(F)F
InChIInChI=1S/C9H12F3NO2/c1-4-13(8(15)6(2)3)7(14)5-9(10,11)12/h2,4-5H2,1,3H3
InChIKeySIMUIHVSHUSJTM-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.89
Rot. Bonds3

About N-ethyl-2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide

N-ethyl-2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide (PubChem CID 134463191) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
PubChem CID134463191
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC NameN-ethyl-2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CC)C(=O)CC(F)(F)F
InChIInChI=1S/C9H12F3NO2/c1-4-13(8(15)6(2)3)7(14)5-9(10,11)12/h2,4-5H2,1,3H3
InChIKeySIMUIHVSHUSJTM-UHFFFAOYSA-N
XLogP1.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethylmethacrylamide
CID 228225
N-Methyl-N-(2-methyl-1-oxoallyl)methacrylamide
CID 81838
3-methyl-1-(3,3,3-trifluoropropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 60977138
N,N-diethyl-2-(trifluoromethyl)prop-2-enamide
CID 134988475
N,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide
CID 134988730
N,N-Diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide
CID 12541730
N,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
CID 21020714
4-Fluoro-1-(2-methylprop-2-enoyl)azetidin-2-one
CID 58165598
2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide
CID 58683581
N-ethyl-2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
CID 59018807
N-ethyl-2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide
CID 59464914
N-butyl-2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide
CID 59464919

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide?
The IUPAC name of N-ethyl-2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide (CID 134463191) is N-ethyl-2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide?
The canonical SMILES for N-ethyl-2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide is C=C(C)C(=O)N(CC)C(=O)CC(F)(F)F.
What is the InChIKey of N-ethyl-2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide?
The InChIKey is SIMUIHVSHUSJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c1-4-13(8(15)6(2)3)7(14)5-9(10,11)12/h2,4-5H2,1,3H3.
What are the key properties of N-ethyl-2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide?
N-ethyl-2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide has a molecular weight of 223.19 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide is sourced from PubChem (CID 134463191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).