Basic information
- CAS
115952-62-0- Standard SMILES
O=C(CCF)OCc1ccc2c(c1)OCO2- InChIKey
RAWIKOALVWHSES-UHFFFAOYSA-N- Molecular formula
- C11H11FO4
- Average molar mass
- 226.2 g/mol
- Monoisotopic mass
- 226.06413699
Names & identifiers
- Preferred name
- 1,3-Benzodioxol-5-ylmethyl 3-fluoropropanoate
- IUPAC
- 1,3-benzodioxol-5-ylmethyl 3-fluoropropanoate
Names & synonyms
DTXSID501252194115952-62-01,3-Benzodioxol-5-ylmethyl 3-fluoropropanoate(2H-1,3-Benzodioxol-5-yl)methyl 3-fluoropropanoate
Database identifiers
- CAS
115952-62-0- PubChem CID
- 85560972
- DTXSID
DTXSID501252194
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…