(S)-methyl 2-(tert-butoxycarbonyl)-3-(4-(trifluoromethyl)phenyl)propanoate

HCID 67270692
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Basic information

Standard SMILES
COC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C
InChIKey
SSQLVGOUSZMJHX-LBPRGKRZSA-N
Molecular formula
C16H19F3O4
Average molar mass
332.31 g/mol

Names & identifiers

Preferred name
(S)-methyl 2-(tert-butoxycarbonyl)-3-(4-(trifluoromethyl)phenyl)propanoate
IUPAC
3-O-tert-butyl 1-O-methyl (2S)-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate

Names & synonyms

(S)-methyl 2-(tert-butoxycarbonyl)-3-(4-(trifluoromethyl)phenyl)propanoateSCHEMBL2079468

Database identifiers

PubChem CID
67270692

Properties

Computed structural properties

XLogP
4
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
23

Related reactions

8 records
New reaction record

Linked notes

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