4H,4H-Decafluoroheptane-3,5-dione
Basic information
- CAS
38007-33-9- Standard SMILES
O=C(CC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F- InChIKey
GYQLGOFXHBMNRM-UHFFFAOYSA-N- Molecular formula
- C7H2F10O2
- Average molar mass
- 308.07 g/mol
- Monoisotopic mass
- 307.9895115
Names & identifiers
- Preferred name
- 4H,4H-Decafluoroheptane-3,5-dione
- IUPAC
- 1,1,1,2,2,6,6,7,7,7-decafluoroheptane-3,5-dione
- English name
- 1,1,1,2,2,6,6,7,7,7-DECAFLUOROHEPTANE-3,5-DIONE
- Molecular formula
- C7H2F10O2
- Molecular weight
- 308.07
Names & synonyms
38007-33-94H,4H-Decafluoroheptane-3,5-dioneDTXSID70377817RefChem:296730DTXCID303288451,1,1,2,2,6,6,7,7,7-decafluoroheptane-3,5-dioneC7H2F10O2MFCD062468402015AE1,1,1,2,2,6,6,7,7,7-decafluoro-3,5-heptanedioneSCHEMBL7640644AKOS007930312
Show more names
3,5-Heptanedione, 1,1,1,2,2,6,6,7,7,7-decafluoro-
1,1,1,2,2,6,6,7,7,7-decafluoroheptanedione-3,51,1,1,2,2,6,6,7,7,7,-Decafluoroheptan-3,5-dione1,1,1,2,2,6,6,7,7,7-decafluoroheptan-3,5-dione
Database identifiers
- CAS
38007-33-9- PubChem CID
- 2769652
- DTXSID
DTXSID70377817- Nikkaji
- J2.400.471F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 134.2 · 134.2±35.0 °C(Predicted)
- Density
- 1.596 · 1.596±0.06 g/cm3(Predicted)
- pka
- 3.47 · 3.47±0.46(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2914790090 · 2914790090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2914790090
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Applications
Uses1,1,1,2,2,6,6,7,7,7-Decafluoroheptane-3,5-dione is a useful research chemical used in the stereoselective preparation of five quaternary stereocentered polycyclic compounds.
Related reactions
5 records
Compound notes
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