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

C9H8F8O2 — CID 59678767

IUPAC2-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1C2CCC(O2)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F8O2/c10-6(11)4-2-1-3(19-4)5(6)7(18,8(12,13)14)9(15,16)17/h3-5,18H,1-2H2
InChIKeyXDDMRVZCECEBAX-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.65
Rot. Bonds1

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

2-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 59678767) has the molecular formula C9H8F8O2 and a molecular weight of 300.15 g/mol. Its IUPAC name is 2-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID59678767
Molecular FormulaC9H8F8O2
Molecular Weight300.15 g/mol
Exact Mass300.04
IUPAC Name2-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1C2CCC(O2)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F8O2/c10-6(11)4-2-1-3(19-4)5(6)7(18,8(12,13)14)9(15,16)17/h3-5,18H,1-2H2
InChIKeyXDDMRVZCECEBAX-UHFFFAOYSA-N
XLogP2.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-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)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 59678767) is 2-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-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)-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)-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(C1C2CCC(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)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is XDDMRVZCECEBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F8O2/c10-6(11)4-2-1-3(19-4)5(6)7(18,8(12,13)14)9(15,16)17/h3-5,18H,1-2H2.
What are the key properties of 2-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 300.15 g/mol, XLogP of 2.65, 1 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)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 59678767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).