2-[(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C10H10F8O2 — CID 59678770

IUPAC2-[(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(CC1C2CCC(O2)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F8O2/c11-8(12)4(5-1-2-6(8)20-5)3-7(19,9(13,14)15)10(16,17)18/h4-6,19H,1-3H2
InChIKeyNWVUMYNLWAUBJL-UHFFFAOYSA-N
MW314.17 g/mol
LogP3.04
Rot. Bonds2

About 2-[(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 59678770) has the molecular formula C10H10F8O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 2-[(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID59678770
Molecular FormulaC10H10F8O2
Molecular Weight314.17 g/mol
Exact Mass314.06
IUPAC Name2-[(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(CC1C2CCC(O2)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F8O2/c11-8(12)4(5-1-2-6(8)20-5)3-7(19,9(13,14)15)10(16,17)18/h4-6,19H,1-3H2
InChIKeyNWVUMYNLWAUBJL-UHFFFAOYSA-N
XLogP3.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 59678770) is 2-[(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(CC1C2CCC(O2)C1(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is NWVUMYNLWAUBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F8O2/c11-8(12)4(5-1-2-6(8)20-5)3-7(19,9(13,14)15)10(16,17)18/h4-6,19H,1-3H2.
What are the key properties of 2-[(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 314.17 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 59678770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).