Basic information
- Standard SMILES
COC(=O)C(F)(c1cc(F)c(F)c(F)c1)S(=O)(=O)CCC(F)(F)F- InChIKey
IATRTTHBZNAICS-UHFFFAOYSA-N- Molecular formula
- C12H9F7O4S
- Average molar mass
- 382.25 g/mol
- Monoisotopic mass
- 382.01097707
Names & identifiers
- Preferred name
- Methyl 2-fluoro-2-(3,4,5-trifluorophenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetate
- IUPAC
- methyl 2-fluoro-2-(3,4,5-trifluorophenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetate
Names & synonyms
SCHEMBL1397753IATRTTHBZNAICS-UHFFFAOYSA-Nmethyl 2-fluoro-2-(3,4,5-trifluorophenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetate
Database identifiers
- PubChem CID
- 59438862
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 547
Related reactions
2 records
Compound notes
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