(6,6,7,7-tetrafluoro-2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate

C15H20F4O4 — CID 58205878

IUPAC(6,6,7,7-tetrafluoro-2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1CC2(CCCC(F)(F)C2(F)F)OC1=O
InChIInChI=1S/C15H20F4O4/c1-4-12(2,3)11(21)22-9-8-13(23-10(9)20)6-5-7-14(16,17)15(13,18)19/h9H,4-8H2,1-3H3
InChIKeyFIZWQWIYXLLBOP-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.47
Rot. Bonds3

About (6,6,7,7-tetrafluoro-2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate

(6,6,7,7-tetrafluoro-2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate (PubChem CID 58205878) has the molecular formula C15H20F4O4 and a molecular weight of 340.31 g/mol. Its IUPAC name is (6,6,7,7-tetrafluoro-2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(6,6,7,7-tetrafluoro-2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate
PubChem CID58205878
Molecular FormulaC15H20F4O4
Molecular Weight340.31 g/mol
Exact Mass340.13
IUPAC Name(6,6,7,7-tetrafluoro-2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1CC2(CCCC(F)(F)C2(F)F)OC1=O
InChIInChI=1S/C15H20F4O4/c1-4-12(2,3)11(21)22-9-8-13(23-10(9)20)6-5-7-14(16,17)15(13,18)19/h9H,4-8H2,1-3H3
InChIKeyFIZWQWIYXLLBOP-UHFFFAOYSA-N
XLogP3.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6,6,7,7-tetrafluoro-2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate?
The IUPAC name of (6,6,7,7-tetrafluoro-2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate (CID 58205878) is (6,6,7,7-tetrafluoro-2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate.
What is the SMILES notation for (6,6,7,7-tetrafluoro-2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate?
The canonical SMILES for (6,6,7,7-tetrafluoro-2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1CC2(CCCC(F)(F)C2(F)F)OC1=O.
What is the InChIKey of (6,6,7,7-tetrafluoro-2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate?
The InChIKey is FIZWQWIYXLLBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4O4/c1-4-12(2,3)11(21)22-9-8-13(23-10(9)20)6-5-7-14(16,17)15(13,18)19/h9H,4-8H2,1-3H3.
What are the key properties of (6,6,7,7-tetrafluoro-2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate?
(6,6,7,7-tetrafluoro-2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate has a molecular weight of 340.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6,7,7-tetrafluoro-2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 58205878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).