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

C9H7F9O2 — CID 59678769

IUPAC1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol
SMILESOC(C(F)(F)F)(C(F)(F)F)C1(F)C2CCC(O2)C1(F)F
InChIInChI=1S/C9H7F9O2/c10-5(3-1-2-4(20-3)6(5,11)12)7(19,8(13,14)15)9(16,17)18/h3-4,19H,1-2H2
InChIKeyZJTCDQCJEGOWJW-UHFFFAOYSA-N
MW318.14 g/mol
LogP2.75
Rot. Bonds1

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

1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol (PubChem CID 59678769) has the molecular formula C9H7F9O2 and a molecular weight of 318.14 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol
PubChem CID59678769
Molecular FormulaC9H7F9O2
Molecular Weight318.14 g/mol
Exact Mass318.03
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol
SMILESOC(C(F)(F)F)(C(F)(F)F)C1(F)C2CCC(O2)C1(F)F
InChIInChI=1S/C9H7F9O2/c10-5(3-1-2-4(20-3)6(5,11)12)7(19,8(13,14)15)9(16,17)18/h3-4,19H,1-2H2
InChIKeyZJTCDQCJEGOWJW-UHFFFAOYSA-N
XLogP2.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 52.75
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-(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol (CID 59678769) is 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-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-(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol is OC(C(F)(F)F)(C(F)(F)F)C1(F)C2CCC(O2)C1(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol?
The InChIKey is ZJTCDQCJEGOWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F9O2/c10-5(3-1-2-4(20-3)6(5,11)12)7(19,8(13,14)15)9(16,17)18/h3-4,19H,1-2H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol has a molecular weight of 318.14 g/mol, XLogP of 2.75, 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-(2,3,3-trifluoro-7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol is sourced from PubChem (CID 59678769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).