Morpholine, 4-(2-(alpha-(alpha,alpha,alpha-trifluoro-o-tolyl)benzyloxy)ethyl)-, oxalate

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Basic information

CAS: 2920-54-9
Standard SMILES: FC(F)(F)c1ccccc1C(OCCN1CCOCC1)c1ccccc1.O=C(O)C(=O)O
InChIKey: BTSTUEAKDQHQIB-UHFFFAOYSA-N
Molecular formula: C22H24F3NO6
Average molar mass: 455.4 g/mol
Monoisotopic mass: 455.15557197

Names & identifiers

Preferred name: Morpholine, 4-(2-(alpha-(alpha,alpha,alpha-trifluoro-o-tolyl)benzyloxy)ethyl)-, oxalate
IUPAC: oxalic acid;4-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethyl]morpholine

Names & synonyms

4-(2-(alpha-(alpha,alpha,alpha-Trifluoro-o-tolyl)benzyloxy)ethyl)morpholine oxalate2920-54-9Morpholine, 4-(2-(alpha-(alpha,alpha,alpha-trifluoro-o-tolyl)benzyloxy)ethyl)-, oxalateRefChem:357691DTXSID50951795Oxalic acid--4-(2-{phenyl[2-(trifluoromethyl)phenyl]methoxy}ethyl)morpholine (1/1)

Database identifiers

CAS: 2920-54-9
PubChem CID: 200900
DTXSID: DTXSID50951795

Properties

Computed structural properties

Topological polar surface area: 96.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 10
Rotatable bonds: 7
Heavy atoms: 32
Formal charge: 0
Complexity: 478

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Compound notes

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