1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-2-methylpropane

C8H6F12O — CID 19066587

IUPAC1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-2-methylpropane
SMILESCC(OC(C)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F12O/c1-3(5(9,10)11,6(12,13)14)21-4(2,7(15,16)17)8(18,19)20/h1-2H3
InChIKeyJTKOZGRBUDINBD-UHFFFAOYSA-N
MW346.11 g/mol
LogP4.77
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-2-methylpropane

1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-2-methylpropane (PubChem CID 19066587) has the molecular formula C8H6F12O and a molecular weight of 346.11 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-2-methylpropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-2-methylpropane
PubChem CID19066587
Molecular FormulaC8H6F12O
Molecular Weight346.11 g/mol
Exact Mass346.02
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-2-methylpropane
SMILESCC(OC(C)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F12O/c1-3(5(9,10)11,6(12,13)14)21-4(2,7(15,16)17)8(18,19)20/h1-2H3
InChIKeyJTKOZGRBUDINBD-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.11
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-2-methylpropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-2-methylpropane (CID 19066587) is 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-2-methylpropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-2-methylpropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-2-methylpropane is CC(OC(C)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-2-methylpropane?
The InChIKey is JTKOZGRBUDINBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F12O/c1-3(5(9,10)11,6(12,13)14)21-4(2,7(15,16)17)8(18,19)20/h1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-2-methylpropane?
1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-2-methylpropane has a molecular weight of 346.11 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-2-methylpropane is sourced from PubChem (CID 19066587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).