alpha-Methyl-alpha-methoxypentafluorophenylacetic acid
Basic information
- CAS
42011-74-5- Standard SMILES
COC(C)(C(=O)O)c1c(F)c(F)c(F)c(F)c1F- InChIKey
NRRDTLWOFRKLRJ-UHFFFAOYSA-N- Molecular formula
- C10H7F5O3
- Average molar mass
- 270.15 g/mol
- Monoisotopic mass
- 270.03153489
Overview
chiral reagent for determination of enantiomeric purity & absolute configuration of certain substituted beta-arylethylamines; structure
Names & identifiers
- Preferred name
- alpha-Methyl-alpha-methoxypentafluorophenylacetic acid
- IUPAC
- 2-methoxy-2-(2,3,4,5,6-pentafluorophenyl)propanoic acid
Names & synonyms
42011-74-5alpha-Methyl-alpha-methoxypentafluorophenylacetic acidRefChem:111313Benzeneacetic acid, 2,3,4,5,6-pentafluoro-alpha-methoxy-alpha-methyl-DTXSID809621522-Methoxy-2-(pentafluorophenyl)propanoic acid
Database identifiers
- CAS
42011-74-5- PubChem CID
- 6451815
- DTXSID
DTXSID80962152
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
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Compound notes
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