2H-Pyran-2,4(3H)-dione, 3-(3-hydroxy-4,4,4-trifluoro-3-trifluoromethylbutyryl)-6-methyl-

HCID 294152

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Basic information

CAS: 102129-07-7
Standard SMILES: CC1=CC(=O)C(C(=O)CC(O)(C(F)(F)F)C(F)(F)F)C(=O)O1
InChIKey: AUWNJELNHVOCFY-UHFFFAOYSA-N
Molecular formula: C11H8F6O5
Average molar mass: 334.17 g/mol
Monoisotopic mass: 334.02759232

Names & identifiers

Preferred name: 2H-Pyran-2,4(3H)-dione, 3-(3-hydroxy-4,4,4-trifluoro-3-trifluoromethylbutyryl)-6-methyl-
IUPAC: 6-methyl-3-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoyl]pyran-2,4-dione

Names & synonyms

102129-07-72H-Pyran-2,4(3H)-dione, 3-(3-hydroxy-4,4,4-trifluoro-3-trifluoromethylbutyryl)-6-methyl-3-((3-Hydroxy-4,4,4-trifluoro-3-trifluoromethyl)butyryl)-6-methyl-2H-pyran-2,4(3H)-dioneRefChem:2688412H-Pyran-2,4(3H)-dione, 6-methyl-3-[4,4,4-trifluoro-3-hydroxy-1-oxo-3-(trifluoromethyl)butyl]-NSC1621346-methyl-3-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoyl]-2h-pyran-2,4(3h)-dioneDTXSID50907131NSC-162134

Database identifiers

CAS: 102129-07-7
PubChem CID: 294152
DTXSID: DTXSID50907131
Nikkaji: J113.507D

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 80.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 11
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 530

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