tert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC(c1ccc(C(F)(F)F)cc1)C(O)CO- InChIKey
MBRGDCACXRQZMO-UHFFFAOYSA-N- Molecular formula
- C15H20F3NO4
- Average molar mass
- 335.32 g/mol
- Monoisotopic mass
- 335.13444261
Names & identifiers
- Preferred name
- tert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate
- IUPAC
- tert-butyl N-[2,3-dihydroxy-1-[4-(trifluoromethyl)phenyl]propyl]carbamate
Names & synonyms
MBRGDCACXRQZMO-UHFFFAOYSA-NOCID190055252954
Database identifiers
- PubChem CID
- 76571202
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
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Related reactions
1 records
Compound notes
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