Basic information
- CAS
61471-65-6- Standard SMILES
COC(CNCC(=O)O)c1cccc(C(F)(F)F)c1- InChIKey
XYSDQSSQJHBHQO-UHFFFAOYSA-N- Molecular formula
- C12H14F3NO3
- Average molar mass
- 277.24 g/mol
- Monoisotopic mass
- 277.09257779
Names & identifiers
- Preferred name
- Acetic acid, 2-(beta-methoxy-m-trifluoromethylphenethylamino)-
- IUPAC
- 2-[[2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetic acid
- English name
- 2-(β-Methoxy-m-trifluoromethylphenethylamino)acetic acid
- Molecular formula
- C12H14F3NO3
- Molecular weight
- 277.24
Names & synonyms
61471-65-6BRN 27529672-(beta-Methoxy-m-trifluoromethylphenethylamino)acetic acidACETIC ACID, 2-(beta-METHOXY-m-TRIFLUOROMETHYLPHENETHYLAMINO)-RefChem:316483DTXSID10977037DB-292048N-{2-Methoxy-2-[3-(trifluoromethyl)phenyl]ethyl}glycine2-(β-Methoxy-m-trifluoromethylphenethylamino)acetic acidGlycine, N-[2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]-
Database identifiers
- CAS
61471-65-6- PubChem CID
- 43671
- DTXSID
DTXSID10977037- Nikkaji
- J86.238J
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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