Basic information
- CAS
759-02-4- Standard SMILES
CC(=O)C(F)C(C)=O- InChIKey
LELFVORHOKZNGY-UHFFFAOYSA-N- Molecular formula
- C5H7FO2
- Average molar mass
- 118.11 g/mol
- Monoisotopic mass
- 118.04300768
Names & identifiers
- Preferred name
- 3-Fluoropentane-2,4-dione
- IUPAC
- 3-fluoropentane-2,4-dione
- English name
- 2,4-Pentanedione, 3-fluoro- (6CI,8CI,9CI)
- Molecular formula
- C5H7FO2
- Molecular weight
- 118.11
Names & synonyms
3-fluoropentane-2,4-dione759-02-4DTXSID70469665RefChem:279534DTXCID204204833-fluoro-2,4-pentanedioneg-fluoroacetylacetoneSCHEMBL1695072LELFVORHOKZNGY-UHFFFAOYSA-NDB-3313082,4-Pentanedione, 3-fluoro-3-Fluoro-4-hydroxypent-3-en-2-one
Show more names
2,4-Pentanedione, 3-fluoro- (6CI,8CI,9CI)
Database identifiers
- CAS
759-02-4- PubChem CID
- 11626652
- DTXSID
DTXSID70469665- Nikkaji
- J1.337.214D
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Boiling point
- 49 · 49-51 °C(Press: 30 Torr)
- Density
- 1.062 · 1.062±0.06 g/cm3(Predicted)
- pka
- 8.1 · 8.10±0.46(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海安屹诺生物医药科技有限公司021-34625901 · [email protected]
扬州摩笛尔电子材料有限公司13761402923 19975033992 · [email protected]
Related reactions
8 records
Compound notes
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