2,3,3-trifluorobicyclo[2.2.2]octan-2-ol

C8H11F3O — CID 58819296

IUPAC2,3,3-trifluorobicyclo[2.2.2]octan-2-ol
SMILESOC1(F)C2CCC(CC2)C1(F)F
InChIInChI=1S/C8H11F3O/c9-7(10)5-1-3-6(4-2-5)8(7,11)12/h5-6,12H,1-4H2
InChIKeyXXQBJEKRBUERQO-UHFFFAOYSA-N
MW180.17 g/mol
LogP2.10
Rot. Bonds

About 2,3,3-trifluorobicyclo[2.2.2]octan-2-ol

2,3,3-trifluorobicyclo[2.2.2]octan-2-ol (PubChem CID 58819296) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is 2,3,3-trifluorobicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name2,3,3-trifluorobicyclo[2.2.2]octan-2-ol
PubChem CID58819296
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name2,3,3-trifluorobicyclo[2.2.2]octan-2-ol
SMILESOC1(F)C2CCC(CC2)C1(F)F
InChIInChI=1S/C8H11F3O/c9-7(10)5-1-3-6(4-2-5)8(7,11)12/h5-6,12H,1-4H2
InChIKeyXXQBJEKRBUERQO-UHFFFAOYSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluorobicyclo[2.2.2]octan-2-ol?
The IUPAC name of 2,3,3-trifluorobicyclo[2.2.2]octan-2-ol (CID 58819296) is 2,3,3-trifluorobicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for 2,3,3-trifluorobicyclo[2.2.2]octan-2-ol?
The canonical SMILES for 2,3,3-trifluorobicyclo[2.2.2]octan-2-ol is OC1(F)C2CCC(CC2)C1(F)F.
What is the InChIKey of 2,3,3-trifluorobicyclo[2.2.2]octan-2-ol?
The InChIKey is XXQBJEKRBUERQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O/c9-7(10)5-1-3-6(4-2-5)8(7,11)12/h5-6,12H,1-4H2.
What are the key properties of 2,3,3-trifluorobicyclo[2.2.2]octan-2-ol?
2,3,3-trifluorobicyclo[2.2.2]octan-2-ol has a molecular weight of 180.17 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluorobicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 58819296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).