1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-methylpropane

C6H8F6O2 — CID 58782394

IUPAC1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-methylpropane
SMILESCOCOC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O2/c1-4(5(7,8)9,6(10,11)12)14-3-13-2/h3H2,1-2H3
InChIKeyZGIMMOQBLIPEDA-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.49
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-methylpropane

1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-methylpropane (PubChem CID 58782394) has the molecular formula C6H8F6O2 and a molecular weight of 226.12 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-methylpropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-methylpropane
PubChem CID58782394
Molecular FormulaC6H8F6O2
Molecular Weight226.12 g/mol
Exact Mass226.04
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-methylpropane
SMILESCOCOC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O2/c1-4(5(7,8)9,6(10,11)12)14-3-13-2/h3H2,1-2H3
InChIKeyZGIMMOQBLIPEDA-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-methylpropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-methylpropane (CID 58782394) is 1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-methylpropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-methylpropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-methylpropane is COCOC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-methylpropane?
The InChIKey is ZGIMMOQBLIPEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O2/c1-4(5(7,8)9,6(10,11)12)14-3-13-2/h3H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-methylpropane?
1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-methylpropane has a molecular weight of 226.12 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-methylpropane is sourced from PubChem (CID 58782394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).