Basic information
- Standard SMILES
COC(=O)c1ccc(C(F)(F)C(=O)OC)cc1- InChIKey
NKTWLTKKYBZARV-UHFFFAOYSA-N- Molecular formula
- C11H10F2O4
- Average molar mass
- 244.19 g/mol
- Monoisotopic mass
- 244.05471512
Names & identifiers
- Preferred name
- Methyl 4-(1,1-difluoro-2-methoxy-2-oxoethyl)benzoate
- IUPAC
- methyl 4-(1,1-difluoro-2-methoxy-2-oxoethyl)benzoate
Names & synonyms
methyl 4-(1,1-difluoro-2-methoxy-2-oxoethyl)benzoateSCHEMBL2438641
Database identifiers
- PubChem CID
- 57541237
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 296
Related reactions
2 records
Compound notes
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