Diethyl [2,3,4-trifluoro[(1S)-2-hydroxy-1-methylethyl]anilino]methylenemalonate

HCID 11485652

Basic information

Standard SMILES
CCOC(=O)C(=CN(c1ccc(F)c(F)c1F)[C@@H](C)CO)C(=O)OCC
InChIKey
RIEABDGOOGWJDV-JTQLQIEISA-N
Molecular formula
C17H20F3NO5
Average molar mass
375.34 g/mol

Names & identifiers

Preferred name
Diethyl [2,3,4-trifluoro[(1S)-2-hydroxy-1-methylethyl]anilino]methylenemalonate
IUPAC
diethyl 2-[(2,3,4-trifluoro-N-[(2S)-1-hydroxypropan-2-yl]anilino)methylidene]propanedioate

Names & synonyms

RIEABDGOOGWJDV-JTQLQIEISA-Ndiethyl [2,3,4-trifluoro [(1S)-2-hydroxy-1-methylethyl]anilino]methylenemalonateDiethyl [2,3,4-trifluoro[(1S)-2-hydroxy-1-methylethyl]anilino]methylenemalonate

Database identifiers

PubChem CID
11485652

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
76.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
26

Related reactions

29 records

Linked notes

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