9-(trifluoromethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol

C8H9F3O6 — CID 58877645

IUPAC9-(trifluoromethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol
SMILESOC1C2OC3OC1C(OC(F)(F)F)C(O3)C2O
InChIInChI=1S/C8H9F3O6/c9-8(10,11)17-6-4-1(12)3-2(13)5(6)16-7(14-3)15-4/h1-7,12-13H
InChIKeyGYBHSURQUXJHRY-UHFFFAOYSA-N
MW258.15 g/mol
LogP-0.91
Rot. Bonds1

About 9-(trifluoromethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol

9-(trifluoromethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol (PubChem CID 58877645) has the molecular formula C8H9F3O6 and a molecular weight of 258.15 g/mol. Its IUPAC name is 9-(trifluoromethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol.

Molecular Properties

Compound Name9-(trifluoromethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol
PubChem CID58877645
Molecular FormulaC8H9F3O6
Molecular Weight258.15 g/mol
Exact Mass258.04
IUPAC Name9-(trifluoromethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol
SMILESOC1C2OC3OC1C(OC(F)(F)F)C(O3)C2O
InChIInChI=1S/C8H9F3O6/c9-8(10,11)17-6-4-1(12)3-2(13)5(6)16-7(14-3)15-4/h1-7,12-13H
InChIKeyGYBHSURQUXJHRY-UHFFFAOYSA-N
XLogP-0.91
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol?
The IUPAC name of 9-(trifluoromethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol (CID 58877645) is 9-(trifluoromethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol.
What is the SMILES notation for 9-(trifluoromethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol?
The canonical SMILES for 9-(trifluoromethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol is OC1C2OC3OC1C(OC(F)(F)F)C(O3)C2O.
What is the InChIKey of 9-(trifluoromethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol?
The InChIKey is GYBHSURQUXJHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O6/c9-8(10,11)17-6-4-1(12)3-2(13)5(6)16-7(14-3)15-4/h1-7,12-13H.
What are the key properties of 9-(trifluoromethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol?
9-(trifluoromethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol has a molecular weight of 258.15 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol is sourced from PubChem (CID 58877645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).