chempirical

Ethyl 3-(methylamino)-4,4,4-trifluoro-2-butenoate

C7H10F3NO2CAS 121303-76-2197.16 g/mol

Open in Covalent MOL file
OOHNFFF
AlkeneAlkyl halideEsterSecondary amine

Properties

Molecular formula
C7H10F3NO2
Molar mass
197.16 g/mol
Exact mass
197.0664 Da
Boiling point
95–98 °C (at 19 Torr)
logP
1.22Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
121303-76-2
SMILES
CCOC(=O)C=C(NC)C(F)(F)F
InChIKey
NDCZMOSQVJGZCK-UHFFFAOYSA-N
InChI
InChI=1S/C7H10F3NO2/c1-3-13-6(12)4-5(11-2)7(8,9)10/h4,11H,3H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester
  • Ethyl 4,4,4-trifluoro-3-(methylamino)crotonate
  • Ethyl 3-methylamino-4,4,4-trifluorocrotonate
  • 3-(Methylamino)-4,4,4-trifluorobut-2-enoic acid ethyl ester
  • Ethyl 4,4,4-trifluoro-3-(methylamino)but-2-enoate
  • 3-Methylamino-4,4,4-trifluorocrotonic acid ethyl ester

Work with Ethyl 3-(methylamino)-4,4,4-trifluoro-2-butenoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 3-amino-4,4,4-trifluoro-2-butenoate372-29-259 % similar Ethyl 3,3-diethoxy-2-propenoate32002-24-750 % similar Ethyl 3,3-dimethylacrylate638-10-849 % similar Ethyl (2E)-4,4,4-trifluoro-2-butenoate25597-16-447 % similar Ethyl trifluoroacetate383-63-146 % similar Diethyl maleate141-05-945 % similar Diethyl fumarate623-91-645 % similar Ethyl β-aminocrotonate7318-00-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook