Basic information
- CAS
383-72-2- Standard SMILES
COC(=O)CNC(=O)C(F)(F)F- InChIKey
BTZLVUPFAOBHFS-UHFFFAOYSA-N- Molecular formula
- C5H6F3NO3
- Average molar mass
- 185.1 g/mol
- Monoisotopic mass
- 185.02997754
Names & identifiers
- Preferred name
- Glycine, N-(trifluoroacetyl)-, methyl ester
- IUPAC
- methyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
- English name
- (Trifluoroacetylamino)acetic acid methyl ester
- Molecular formula
- C5H6F3NO3
- Molecular weight
- 185.1
Names & synonyms
383-72-2Glycine, N-(trifluoroacetyl)-, methyl esterDTXSID90191673NSC 141556RefChem:143880DTXCID30114164BTZLVUPFAOBHFS-UHFFFAOYSA-NMETHYL 2-(2,2,2-TRIFLUOROACETAMIDO)ACETATEmethyl 2-[(2,2,2-trifluoroacetyl)amino]acetatemethyl N-(trifluoroacetyl)glycinateGlycine, N-(trifluoroacetyl)-, methyl esterN-(Trifluoroacetyl)glycine methyl ester
Show more names
(Trifluoroacetylamino)acetic acid methyl esterGlycine, N-(2,2,2-trifluoroacetyl)-, methyl ester
Methyl [(trifluoroacetyl)amino]acetateCHEMBL3278874SCHEMBL14440671SCHEMBL21488436MFCD00056333NSC141556AKOS010227758NSC-141556
Database identifiers
- CAS
383-72-2- PubChem CID
- 136228
- DTXSID
DTXSID90191673- ChEMBL
CHEMBL3278874- Nikkaji
- J99.496K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 214.53 °C · 214.53°C (rough estimate)
- storage temp.
- 2 · 2-8°C
- HS Code
- 2924297099 · 2924297099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2924297099
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…