1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propane

C8H9F9O — CID 123221241

IUPAC1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propane
SMILESCC(C)(C)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F9O/c1-4(2,3)18-5(6(9,10)11,7(12,13)14)8(15,16)17/h1-3H3
InChIKeyUIPXIZRSOWLYAP-UHFFFAOYSA-N
MW292.14 g/mol
LogP4.23
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propane

1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propane (PubChem CID 123221241) has the molecular formula C8H9F9O and a molecular weight of 292.14 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propane
PubChem CID123221241
Molecular FormulaC8H9F9O
Molecular Weight292.14 g/mol
Exact Mass292.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propane
SMILESCC(C)(C)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F9O/c1-4(2,3)18-5(6(9,10)11,7(12,13)14)8(15,16)17/h1-3H3
InChIKeyUIPXIZRSOWLYAP-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 54.23
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-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propane (CID 123221241) is 1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propane is CC(C)(C)OC(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-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propane?
The InChIKey is UIPXIZRSOWLYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F9O/c1-4(2,3)18-5(6(9,10)11,7(12,13)14)8(15,16)17/h1-3H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propane?
1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propane has a molecular weight of 292.14 g/mol, XLogP of 4.23, 1 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-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propane is sourced from PubChem (CID 123221241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).