1-(Dimethylphosphino)-3,3,3-trifluoro-2-(trifluoromethyl)-1-propanone

HCID 548360

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Basic information

CAS: 20336-17-8
Standard SMILES: CP(C)C(=O)C(C(F)(F)F)C(F)(F)F
InChIKey: XSVGWJVNPPRRRD-UHFFFAOYSA-N
Molecular formula: C6H7F6OP
Average molar mass: 240.08 g/mol
Monoisotopic mass: 240.01387081

Names & identifiers

Preferred name: 1-(Dimethylphosphino)-3,3,3-trifluoro-2-(trifluoromethyl)-1-propanone
IUPAC: 1-dimethylphosphanyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
English name: Dimethyl[3,3,3-trifluoro-1-oxo-2-(trifluoromethyl)propyl]phosphine
Molecular formula: C6H7F6OP
Molecular weight: 240.08

Names & synonyms

20336-17-81-(Dimethylphosphino)-3,3,3-trifluoro-2-(trifluoromethyl)-1-propanoneRefChem:226566Phosphine, dimethyl[3,3,3-trifluoro-2-(trifluoromethyl)propionyl]-XSVGWJVNPPRRRD-UHFFFAOYSA-NDTXSID5011582551-(dimethylphosphanyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-onePhosphine, dimethyl[3,3,3-trifluoro-1-oxo-2-(trifluoromethyl)propyl]-DB-297194Dimethyl[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phosphine #Dimethyl[3,3,3-trifluoro-2-(trifluoromethyl)propionyl]phosphineDimethyl [3,3,3-trifluoro-1-oxo-2-(trifluoromethyl )propyl ]phosphine

Show more names

Dimethyl[3,3,3-trifluoro-1-oxo-2-(trifluoromethyl)propyl]phosphine1-Propanone, 1-(dimethylphosphino)-3,3,3-trifluoro-2-(trifluoromethyl)-

Database identifiers

CAS: 20336-17-8
PubChem CID: 548360
DTXSID: DTXSID501158255
Nikkaji: J119.386D

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 203

Physicochemical properties

Boiling point: 61 °C · 61 °C(Press: 62 Torr)
Density: 0.9408 g/cm3 · 0.9408 g/cm3

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