Methyl 3-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enoate

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Basic information

CAS: 62451-85-8
Standard SMILES: COC(=O)C(=CN(C)C)c1cccc(C(F)(F)F)c1
InChIKey: MPGFUCLNUSCIGI-UHFFFAOYSA-N
Molecular formula: C13H14F3NO2
Average molar mass: 273.25 g/mol
Monoisotopic mass: 273.09766318

Names & identifiers

Preferred name: Methyl 3-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enoate
IUPAC: methyl 3-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enoate

Names & synonyms

DTXSID201156000Methyl 3-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enoateMethyl I+/--[(dimethylamino)methylene]-3-(trifluoromethyl)benzeneacetate62451-85-8

Database identifiers

CAS: 62451-85-8
PubChem CID: 165344827
DTXSID: DTXSID201156000

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 350

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Compound notes

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