1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol

C9H10F6O2 — CID 59678746

IUPAC1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol
SMILESOC(C1CC2CCC1O2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6O2/c10-8(11,12)7(16,9(13,14)15)5-3-4-1-2-6(5)17-4/h4-6,16H,1-3H2
InChIKeyMUHJYPPKHRYCNY-UHFFFAOYSA-N
MW264.17 g/mol
LogP2.41
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol (PubChem CID 59678746) has the molecular formula C9H10F6O2 and a molecular weight of 264.17 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol
PubChem CID59678746
Molecular FormulaC9H10F6O2
Molecular Weight264.17 g/mol
Exact Mass264.06
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol
SMILESOC(C1CC2CCC1O2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6O2/c10-8(11,12)7(16,9(13,14)15)5-3-4-1-2-6(5)17-4/h4-6,16H,1-3H2
InChIKeyMUHJYPPKHRYCNY-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol (CID 59678746) is 1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol is OC(C1CC2CCC1O2)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol?
The InChIKey is MUHJYPPKHRYCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6O2/c10-8(11,12)7(16,9(13,14)15)5-3-4-1-2-6(5)17-4/h4-6,16H,1-3H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol has a molecular weight of 264.17 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 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-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol is sourced from PubChem (CID 59678746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).