[{[3,5-Bis(trifluoromethyl)phenyl]methyl}(methyl)amino](oxo)acetic acid
Basic information
- CAS
185332-44-9- Standard SMILES
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C(=O)O- InChIKey
VKQUOBFOTLWFAN-UHFFFAOYSA-N- Molecular formula
- C12H9F6NO3
- Average molar mass
- 329.19 g/mol
- Monoisotopic mass
- 329.04866212
Names & identifiers
- Preferred name
- [{[3,5-Bis(trifluoromethyl)phenyl]methyl}(methyl)amino](oxo)acetic acid
- IUPAC
- 2-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-2-oxoacetic acid
Names & synonyms
VKQUOBFOTLWFAN-UHFFFAOYSA-NDTXSID301148589[{[3,5-Bis(trifluoromethyl)phenyl]methyl}(methyl)amino](oxo)acetic acid2-[[[3,5-Bis(trifluoromethyl)phenyl]methyl]methylamino]-2-oxoacetic acid2-[[3,5-Bis(trifluoromethyl)phenyl]methyl-methylamino]-2-oxoacetic acid185332-44-9
Database identifiers
- CAS
185332-44-9- PubChem CID
- 85707920
- DTXSID
DTXSID301148589
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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