Basic information
- CAS
38696-08-1- Standard SMILES
COc1ccc(COC(=O)C(F)(F)F)cc1- InChIKey
BSBVVLYNTXIZSP-UHFFFAOYSA-N- Molecular formula
- C10H9F3O3
- Average molar mass
- 234.17 g/mol
- Monoisotopic mass
- 234.05037863
Names & identifiers
- Preferred name
- Acetic acid, trifluoro-, (4-methoxyphenyl)methyl ester
- IUPAC
- (4-methoxyphenyl)methyl 2,2,2-trifluoroacetate
Names & synonyms
Acetic acid, trifluoro-, (4-methoxyphenyl)methyl ester38696-08-1DTXSID20342035RefChem:316722DTXCID80293115p-methoxybenzyl trifluoro-acetate4-Methoxybenzyl trifluoroacetate #(4-Methoxyphenyl)methyl trifluoroacetate4-Methoxybenzyl 2,2,2-trifluoroacetateTrifluoroacetic acid, 4-methoxybenzyl ester
Database identifiers
- CAS
38696-08-1- PubChem CID
- 577980
- DTXSID
DTXSID20342035- Nikkaji
- J1.980.680D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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