4-Heptanone, 2,6-bis(chlorodifluoromethly)-1,7-dichloro-2,6-dihydroxy-3-methyl-1,1,7,7-tetrafluoro-
Basic information
- CAS
101913-78-4- Standard SMILES
CC(C(=O)CC(O)(C(F)(F)Cl)C(F)(F)Cl)C(O)(C(F)(F)Cl)C(F)(F)Cl- InChIKey
KCIDOOFWLXHRKV-UHFFFAOYSA-N- Molecular formula
- C10H8Cl4F8O3
- Average molar mass
- 470 g/mol
- Monoisotopic mass
- 467.90998
Names & identifiers
- Preferred name
- 4-Heptanone, 2,6-bis(chlorodifluoromethly)-1,7-dichloro-2,6-dihydroxy-3-methyl-1,1,7,7-tetrafluoro-
- IUPAC
- 1,7-dichloro-2,6-bis[chloro(difluoro)methyl]-1,1,7,7-tetrafluoro-2,6-dihydroxy-3-methylheptan-4-one
- English name
- 1,7-Dichloro-2,6-bis(chlorodifluoromethyl)-1,1,7,7-tetrafluoro-2,6-dihydroxy-3-methyl-4-heptanone
- Molecular formula
- C10H8Cl4F8O3
- Molecular weight
- 469.97
Names & synonyms
101913-78-44-Heptanone, 2,6-bis(chlorodifluoromethly)-1,7-dichloro-2,6-dihydroxy-3-methyl-1,1,7,7-tetrafluoro-RefChem:2929921,7-dichloro-2,6-bis[chloro(difluoro)methyl]-1,1,7,7-tetrafluoro-2,6-dihydroxy-3-methylheptan-4-one1,7-Dichloro-2,6-bis(chlorodifluoromethyl)-1,1,7,7-tetrafluoro-2,6-dihydroxy-3-methyl-4-heptanoneDTXSID609068121,7-Dichloro-2,6-bis[chlorodi(fluoro)methyl]-1,1,7,7-tetrafluoro-2,6-dihydroxy-3-methylheptan-4-one2,6-Bis(chlorodifluoromethyl)-1,7-dichloro-2,6-dihydroxy-3-methyl-1,1,7,7-tetrafluoro-4-heptanone4-Heptanone, 1,7-dichloro-2,6-bis(chlorodifluoromethyl)-1,1,7,7-tetrafluoro-2,6-dihydroxy-3-methyl-
Database identifiers
- CAS
101913-78-4- PubChem CID
- 59090
- DTXSID
DTXSID60906812- Nikkaji
- J73.644I
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 502
Physicochemical properties
- Boiling point
- 421.4 · 421.4±45.0 °C(Predicted)
- Density
- 1.705 · 1.705±0.06 g/cm3(Predicted)
- pka
- 9.19 · 9.19±0.29(Predicted)
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Compound notes
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