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Glycine, N-(trifluoroacetyl)-, vinyl ester

HCID 12707
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Basic information

CAS
687-04-7
Standard SMILES
C=COC(=O)CNC(=O)C(F)(F)F
InChIKey
YWUZNDFFHYVXOH-UHFFFAOYSA-N
Molecular formula
C6H6F3NO3
Average molar mass
197.11 g/mol
Monoisotopic mass
197.02997754

Names & identifiers

Preferred name
Glycine, N-(trifluoroacetyl)-, vinyl ester
IUPAC
ethenyl 2-[(2,2,2-trifluoroacetyl)amino]acetate

Names & synonyms

GLYCINE, N-(TRIFLUOROACETYL)-, VINYL ESTER687-04-7N-Trifluoroacetylglycine vinyl esterBRN 2263021SCHEMBL16685278DTXSID80218828Ethenyl N-(trifluoroacetyl)glycinatevinyl 2-(2,2,2-trifluoroacetamido)acetate

Database identifiers

CAS
687-04-7
PubChem CID
12707
DTXSID
DTXSID80218828
Nikkaji
J75.757H

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
13
Formal charge
0
Complexity
224

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