4-Amino-1,1,1-trifluoro-3-buten-2-one

C₄H₄F₃NOCAS 184848-89-3139.08 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ketone Primary amine

Properties

Molecular formula: C₄H₄F₃NO
Molar mass: 139.08 g/mol
Exact mass: 139.0245 Da
logP: 0.59Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1
Double bonds: EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

184848-89-3

SMILES

C(=C/N)\C(=O)C(F)(F)F

InChIKey

DHJDPIHFALRNER-OWOJBTEDSA-N

InChI

InChI=1S/C4H4F3NO/c5-4(6,7)3(9)1-2-8/h1-2H,8H2/b2-1+

Weigh it out

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

Names and synonyms

1 names

4-Amino-1,1,1-trifluorobut-3-en-2-one

Work with 4-Amino-1,1,1-trifluoro-3-buten-2-one

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

4-Ethoxy-1,1,1-trifluoro-3-buten-2-one17129-06-544 % similar (3E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one59938-06-644 % similar Hexafluoroacetone684-16-233 % similar Trifluoroacetohydrazide1538-08-531 % similar Trifluoroacetic acid-d599-00-831 % similar Trifluoromethylmaleic anhydride700-27-630 % similar

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

Same formula

3,3,3-Trifluoro-2-hydroxy-2-methylpropanenitrile335-08-0 4,4,4-Trifluorocrotonamide590-76-1

Elsewhere

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