3-azanylpropylsulfanyl 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 3-azanylpropylsulfanyl 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 3-aminopropylsulfanyl 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid (3-aminopropylthio) ester IUPAC Name: 3-aminopropylsulfanyl 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid (3-aminopropylthio) ester Formula: C5H8F3NO2S MolecularWeight: 203.18273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CN)CSOC(=O)C(F)(F)F

Isomeric SMILES

C(CN)CSOC(=O)C(F)(F)F

InChI

InChI=1S/C5H8F3NO2S/c6-5(7,8)4(10)11-12-3-1-2-9/h1-3,9H2