1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxybutan-2-ol

C8H12F6O2 — CID 59716047

IUPAC1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxybutan-2-ol
SMILESCCC(O)COC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O2/c1-3-5(15)4-16-6(2,7(9,10)11)8(12,13)14/h5,15H,3-4H2,1-2H3
InChIKeyFZEFLTKISDTQIK-UHFFFAOYSA-N
MW254.17 g/mol
LogP2.66
Rot. Bonds4

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

1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxybutan-2-ol (PubChem CID 59716047) has the molecular formula C8H12F6O2 and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxybutan-2-ol.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxybutan-2-ol
PubChem CID59716047
Molecular FormulaC8H12F6O2
Molecular Weight254.17 g/mol
Exact Mass254.07
IUPAC Name1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxybutan-2-ol
SMILESCCC(O)COC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O2/c1-3-5(15)4-16-6(2,7(9,10)11)8(12,13)14/h5,15H,3-4H2,1-2H3
InChIKeyFZEFLTKISDTQIK-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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)oxybutan-2-ol?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxybutan-2-ol (CID 59716047) is 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxybutan-2-ol.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxybutan-2-ol?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxybutan-2-ol is CCC(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)oxybutan-2-ol?
The InChIKey is FZEFLTKISDTQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O2/c1-3-5(15)4-16-6(2,7(9,10)11)8(12,13)14/h5,15H,3-4H2,1-2H3.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxybutan-2-ol?
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxybutan-2-ol has a molecular weight of 254.17 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxybutan-2-ol is sourced from PubChem (CID 59716047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).