Basic information
- CAS
101711-20-0- Standard SMILES
CN1CCC(OC(=O)C(O)(C#CC(F)(F)F)c2ccccc2)CC1- InChIKey
MBVOUOOXWCDBOS-UHFFFAOYSA-N- Molecular formula
- C17H18F3NO3
- Average molar mass
- 341.32 g/mol
- Monoisotopic mass
- 341.12387792
Names & identifiers
- Preferred name
- 1-Methylpiperidin-4-yl 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate
- IUPAC
- (1-methylpiperidin-4-yl) 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoate
Names & synonyms
101711-20-0DTXSID409065721-methylpiperidin-4-yl 5,5,5-trifluoro-2-hydroxy-2-phenylpent-3-ynoateRefChem:1055887DTXCID5013356691-Methyl-4-piperidyl phenyl(3,3,3-trifluoropropynyl)glycolateMandelic acid, alpha-(3,3,3-trifluoro-1-propyn-1-yl)-, 1-methyl-4-piperidyl ester
Database identifiers
- CAS
101711-20-0- PubChem CID
- 58829
- DTXSID
DTXSID40906572- Nikkaji
- J147.736F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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