Basic information
- CAS
62522-69-4- Standard SMILES
COC(CF)(COC(=O)c1ccccc1)OC- InChIKey
VWKVIUQVIQYURO-UHFFFAOYSA-N- Molecular formula
- C12H15FO4
- Average molar mass
- 242.24 g/mol
- Monoisotopic mass
- 242.09543712
Names & identifiers
- Preferred name
- Benzoic acid, 2,2-dimethoxy-3-fluoropropyl ester
- IUPAC
- (3-fluoro-2,2-dimethoxypropyl) benzoate
- English name
- 2,2-Dimethoxy-3-fluoropropyl=benzoate
- Molecular formula
- C12H15FO4
- Molecular weight
- 242.24
Names & synonyms
62522-69-4Fluorohydroxyacetonedimethyl ketal benzoateBENZOIC ACID, 2,2-DIMETHOXY-3-FLUOROPROPYL ESTERBRN 22671631-Benzoyloxy-2,2-dimethoxy-3-fluoropropaneDTXSID80211571RefChem:326528DTXCID101340622,2-Dimethoxy-3-Fluoropropyl Benzoate3-fluoro-2,2-dimethoxypropyl benzoateCHEMBL3276490DB-364306
Show more names
2,2-Dimethoxy-3-fluoropropyl=benzoate1-Propanol, 3-fluoro-2,2-dimethoxy-, 1-benzoate
Database identifiers
- CAS
62522-69-4- PubChem CID
- 44084
- DTXSID
DTXSID80211571- ChEMBL
CHEMBL3276490- Nikkaji
- J83.355J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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