Dimethyl (3-fluoro-2-oxoheptyl)phosphonate
Basic information
- CAS
50889-32-2- Standard SMILES
CCCCC(F)C(=O)CP(=O)(OC)OC- InChIKey
OAYAQFMNDZGODW-UHFFFAOYSA-N- Molecular formula
- C9H18FO4P
- Average molar mass
- 240.21 g/mol
- Monoisotopic mass
- 240.09267421
Names & identifiers
- Preferred name
- Dimethyl (3-fluoro-2-oxoheptyl)phosphonate
- IUPAC
- 1-dimethoxyphosphoryl-3-fluoroheptan-2-one
- English name
- Dimethyl (3-fluoro-2-oxoheptyl)phosphonate
- Molecular formula
- C9H18FO4P
- Molecular weight
- 240.21
Names & synonyms
50889-32-2Dimethyl (3-fluoro-2-oxoheptyl)phosphonatePhosphonic acid, (3-fluoro-2-oxoheptyl)-, dimethyl ester1-dimethoxyphosphoryl-3-fluoroheptan-2-oneSCHEMBL7941339DTXSID40531606OAYAQFMNDZGODW-UHFFFAOYSA-NMFCD29918128AKOS030255314dimethyl(2-oxo-3-fluoroheptyl)phosphonate1-dimethoxyphosphoryl-3-fluoro-heptan-2-onePhosphonic acid, P-(3-fluoro-2-oxoheptyl)-, dimethyl ester
Database identifiers
- CAS
50889-32-2- PubChem CID
- 13245337
- DTXSID
DTXSID40531606
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 307.5 · 307.5±22.0 °C(Predicted)
- Density
- 1.107 · 1.107±0.06 g/cm3(Predicted)
Related reactions
5 records
Compound notes
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