2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroacetyl)prop-2-enamide

C9H12F3NO2 — CID 134463210

IUPAC2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroacetyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C9H12F3NO2/c1-5(2)7(14)13(6(3)4)8(15)9(10,11)12/h6H,1H2,2-4H3
InChIKeySWHMGMYWNUPBML-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.89
Rot. Bonds2

About 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroacetyl)prop-2-enamide

2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroacetyl)prop-2-enamide (PubChem CID 134463210) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroacetyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroacetyl)prop-2-enamide
PubChem CID134463210
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroacetyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C9H12F3NO2/c1-5(2)7(14)13(6(3)4)8(15)9(10,11)12/h6H,1H2,2-4H3
InChIKeySWHMGMYWNUPBML-UHFFFAOYSA-N
XLogP1.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-Methyl-N-(2-methyl-1-oxoallyl)methacrylamide
CID 81838
2-methyl-N,N-di(propan-2-yl)prop-2-enamide
CID 12947886
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-(2-fluoroethyl)-N,2-dimethylprop-2-enamide
CID 88558388
2-methyl-N-propyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
CID 89314896
N,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
CID 89314925
N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
CID 89314927
N-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
CID 89314935
N-(3,3-difluoropropyl)-N-ethyl-2-methylprop-2-enamide
CID 89332559
N-butyl-N-(3,3-difluoropropyl)-2-methylprop-2-enamide
CID 89352113

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroacetyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroacetyl)prop-2-enamide (CID 134463210) is 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroacetyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroacetyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroacetyl)prop-2-enamide is C=C(C)C(=O)N(C(=O)C(F)(F)F)C(C)C.
What is the InChIKey of 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroacetyl)prop-2-enamide?
The InChIKey is SWHMGMYWNUPBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c1-5(2)7(14)13(6(3)4)8(15)9(10,11)12/h6H,1H2,2-4H3.
What are the key properties of 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroacetyl)prop-2-enamide?
2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroacetyl)prop-2-enamide has a molecular weight of 223.19 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroacetyl)prop-2-enamide is sourced from PubChem (CID 134463210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).