1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3-methoxy-3-methylbutane

C11H18F6O2 — CID 88557552

IUPAC1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3-methoxy-3-methylbutane
SMILESCOC(C)(C)C(F)(F)C(F)(F)OC(C)(C)C(C)(F)F
InChIInChI=1S/C11H18F6O2/c1-7(2,9(5,12)13)19-11(16,17)10(14,15)8(3,4)18-6/h1-6H3
InChIKeyLQVOFOIDPQWGAS-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.09
Rot. Bonds6

About 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3-methoxy-3-methylbutane

1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3-methoxy-3-methylbutane (PubChem CID 88557552) has the molecular formula C11H18F6O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3-methoxy-3-methylbutane.

Molecular Properties

Compound Name1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3-methoxy-3-methylbutane
PubChem CID88557552
Molecular FormulaC11H18F6O2
Molecular Weight296.25 g/mol
Exact Mass296.12
IUPAC Name1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3-methoxy-3-methylbutane
SMILESCOC(C)(C)C(F)(F)C(F)(F)OC(C)(C)C(C)(F)F
InChIInChI=1S/C11H18F6O2/c1-7(2,9(5,12)13)19-11(16,17)10(14,15)8(3,4)18-6/h1-6H3
InChIKeyLQVOFOIDPQWGAS-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3-methoxy-3-methylbutane?
The IUPAC name of 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3-methoxy-3-methylbutane (CID 88557552) is 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3-methoxy-3-methylbutane.
What is the SMILES notation for 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3-methoxy-3-methylbutane?
The canonical SMILES for 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3-methoxy-3-methylbutane is COC(C)(C)C(F)(F)C(F)(F)OC(C)(C)C(C)(F)F.
What is the InChIKey of 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3-methoxy-3-methylbutane?
The InChIKey is LQVOFOIDPQWGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F6O2/c1-7(2,9(5,12)13)19-11(16,17)10(14,15)8(3,4)18-6/h1-6H3.
What are the key properties of 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3-methoxy-3-methylbutane?
1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3-methoxy-3-methylbutane has a molecular weight of 296.25 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3-methoxy-3-methylbutane is sourced from PubChem (CID 88557552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).