alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate

HCID 137474

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Basic information

CAS: 2195-84-8
Standard SMILES: CC(=O)OC(F)(F)OC(F)(F)F
InChIKey: LMIXDPWHHJAXJJ-UHFFFAOYSA-N
Molecular formula: C4H3F5O3
Average molar mass: 194.06 g/mol
Monoisotopic mass: 194.00023476

Names & identifiers

Preferred name: alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate
IUPAC: [difluoro(trifluoromethoxy)methyl] acetate

Names & synonyms

alpha-(Trifluoromethoxy)-alpha,alpha-difluoromethyl acetate2195-84-8DTXSID50176360difluoro(trifluoromethoxy)methyl acetateMethanol, 1,1-difluoro-1-(trifluoromethoxy)-, acetate.alpha.-(Trifluoromethoxy)-.alpha.,.alpha.-difluoromethyl acetate

Database identifiers

CAS: 2195-84-8
PubChem CID: 137474
DTXSID: DTXSID50176360

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 174

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