Basic information
- Standard SMILES
O=C(O)CC(NC(=O)C(F)(F)F)C(=O)O- InChIKey
NTFULCXLYCSQIW-UHFFFAOYSA-N- Molecular formula
- C6H6F3NO5
- Average molar mass
- 229.11 g/mol
Names & identifiers
- Preferred name
- N-(Trifluoroacetyl)-dl-aspartic acid
- IUPAC
- 2-[(2,2,2-trifluoroacetyl)amino]butanedioic acid
Names & synonyms
200876-77-32-(Trifluoroacetamido)butanedioic acidN-(Trifluoroacetyl)-dl-aspartic acid(2,2,2-Trifluoroacetyl)aspartic acid2-[(2,2,2-trifluoroacetyl)amino]butanedioic acidstarbld00201382-(2,2,2-trifluoroacetamido)butanedioic acidSCHEMBL5611391NTFULCXLYCSQIW-UHFFFAOYSA-NN-(Trifluoroacetyl)aspartic acid #
Database identifiers
- PubChem CID
- 603529
- Nikkaji
- J2.587.575C
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 287
Related reactions
1 records
Compound notes
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