2-hydroxy-6-(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one

C9H9F3O3 — CID 11481445

IUPAC2-hydroxy-6-(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
SMILESO=C1OC2C(O)C3CC2C1(C(F)(F)F)C3
InChIInChI=1S/C9H9F3O3/c10-9(11,12)8-2-3-1-4(8)6(5(3)13)15-7(8)14/h3-6,13H,1-2H2
InChIKeyIOXNTCDKBZLYOG-UHFFFAOYSA-N
MW222.16 g/mol
LogP0.86
Rot. Bonds

About 2-hydroxy-6-(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one

2-hydroxy-6-(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one (PubChem CID 11481445) has the molecular formula C9H9F3O3 and a molecular weight of 222.16 g/mol. Its IUPAC name is 2-hydroxy-6-(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one.

Molecular Properties

Compound Name2-hydroxy-6-(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
PubChem CID11481445
Molecular FormulaC9H9F3O3
Molecular Weight222.16 g/mol
Exact Mass222.05
IUPAC Name2-hydroxy-6-(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
SMILESO=C1OC2C(O)C3CC2C1(C(F)(F)F)C3
InChIInChI=1S/C9H9F3O3/c10-9(11,12)8-2-3-1-4(8)6(5(3)13)15-7(8)14/h3-6,13H,1-2H2
InChIKeyIOXNTCDKBZLYOG-UHFFFAOYSA-N
XLogP0.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The IUPAC name of 2-hydroxy-6-(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one (CID 11481445) is 2-hydroxy-6-(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one.
What is the SMILES notation for 2-hydroxy-6-(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The canonical SMILES for 2-hydroxy-6-(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one is O=C1OC2C(O)C3CC2C1(C(F)(F)F)C3.
What is the InChIKey of 2-hydroxy-6-(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The InChIKey is IOXNTCDKBZLYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O3/c10-9(11,12)8-2-3-1-4(8)6(5(3)13)15-7(8)14/h3-6,13H,1-2H2.
What are the key properties of 2-hydroxy-6-(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
2-hydroxy-6-(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one has a molecular weight of 222.16 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one is sourced from PubChem (CID 11481445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).