1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-3-methoxypropan-2-ol

C8H12F6O3 — CID 59360321

IUPAC1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-3-methoxypropan-2-ol
SMILESCOCC(O)COC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O3/c1-6(7(9,10)11,8(12,13)14)17-4-5(15)3-16-2/h5,15H,3-4H2,1-2H3
InChIKeySGGYZQYOVVZHEY-UHFFFAOYSA-N
MW270.17 g/mol
LogP1.89
Rot. Bonds5

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

1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-3-methoxypropan-2-ol (PubChem CID 59360321) has the molecular formula C8H12F6O3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-3-methoxypropan-2-ol
PubChem CID59360321
Molecular FormulaC8H12F6O3
Molecular Weight270.17 g/mol
Exact Mass270.07
IUPAC Name1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-3-methoxypropan-2-ol
SMILESCOCC(O)COC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O3/c1-6(7(9,10)11,8(12,13)14)17-4-5(15)3-16-2/h5,15H,3-4H2,1-2H3
InChIKeySGGYZQYOVVZHEY-UHFFFAOYSA-N
XLogP1.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-3-methoxypropan-2-ol?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-3-methoxypropan-2-ol (CID 59360321) is 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-3-methoxypropan-2-ol?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-3-methoxypropan-2-ol is COCC(O)COC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-3-methoxypropan-2-ol?
The InChIKey is SGGYZQYOVVZHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O3/c1-6(7(9,10)11,8(12,13)14)17-4-5(15)3-16-2/h5,15H,3-4H2,1-2H3.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-3-methoxypropan-2-ol?
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-3-methoxypropan-2-ol has a molecular weight of 270.17 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-3-methoxypropan-2-ol is sourced from PubChem (CID 59360321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).