2-Amino-4-iminoheptafluoropent-2-ene

C₅H₃F₇N₂CAS 77953-70-9224.08 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Imine Primary amine Vinyl halide

Properties

Molecular formula: C₅H₃F₇N₂
Molar mass: 224.08 g/mol
Exact mass: 224.0184 Da
logP: 2.27Crippen estimate
Polar surface area: 49.9 Å²
H-bond donors / acceptors: 2 / 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

77953-70-9

SMILES

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

InChIKey

NSPGYANHJLMYBV-YSJZGAJUSA-N

InChI

InChI=1S/C5H3F7N2/c6-1(2(13)4(7,8)9)3(14)5(10,11)12/h13H,14H2/b3-1+,13-2?

Weigh it out

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Work with 2-Amino-4-iminoheptafluoropent-2-ene

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

Trifluoroacetamidine354-37-037 % similar Hexafluoroacetone imine1645-75-631 % similar

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

Elsewhere

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