Basic information
- CAS
63917-08-8- Standard SMILES
O=C(CC(=O)OCF)OCF- InChIKey
JVHROOASFGOKFF-UHFFFAOYSA-N- Molecular formula
- C5H6F2O4
- Average molar mass
- 168.1 g/mol
- Monoisotopic mass
- 168.02341499
Names & identifiers
- Preferred name
- Malonic acid, bis(fluoromethyl)ester
- IUPAC
- bis(fluoromethyl) propanedioate
- English name
- Malonic acid bis(fluoromethyl) ester
- Molecular formula
- C5H6F2O4
- Molecular weight
- 168.1
Names & synonyms
Methylene bisfluoroacetate63917-08-8MALONIC ACID, BIS(FLUOROMETHYL)ESTERDTXSID50213668RefChem:351841DTXCID80136159bis(fluoromethyl) propanedioateMalonic acid bis(fluoromethyl) esterSCHEMBL12158575DB-297726Propanedioic acid, 1,3-bis(fluoromethyl) ester
Database identifiers
- CAS
63917-08-8- PubChem CID
- 45260
- DTXSID
DTXSID50213668- Nikkaji
- J85.373I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 183.4 · 183.4±30.0 °C(Predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- pka
- 9.43 · 9.43±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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