2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol

C7H9F3O — CID 58819292

IUPAC2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol
SMILESOC1(F)C2CCC(C2)C1(F)F
InChIInChI=1S/C7H9F3O/c8-6(9)4-1-2-5(3-4)7(6,10)11/h4-5,11H,1-3H2
InChIKeyFKGTWGFZDGJSET-UHFFFAOYSA-N
MW166.14 g/mol
LogP1.71
Rot. Bonds

About 2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol

2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol (PubChem CID 58819292) has the molecular formula C7H9F3O and a molecular weight of 166.14 g/mol. Its IUPAC name is 2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol
PubChem CID58819292
Molecular FormulaC7H9F3O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol
SMILESOC1(F)C2CCC(C2)C1(F)F
InChIInChI=1S/C7H9F3O/c8-6(9)4-1-2-5(3-4)7(6,10)11/h4-5,11H,1-3H2
InChIKeyFKGTWGFZDGJSET-UHFFFAOYSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 51.71
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[2.2.1]heptan-2-ol?
The IUPAC name of 2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol (CID 58819292) is 2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol is OC1(F)C2CCC(C2)C1(F)F.
What is the InChIKey of 2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol?
The InChIKey is FKGTWGFZDGJSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O/c8-6(9)4-1-2-5(3-4)7(6,10)11/h4-5,11H,1-3H2.
What are the key properties of 2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol?
2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol has a molecular weight of 166.14 g/mol, XLogP of 1.71, 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[2.2.1]heptan-2-ol is sourced from PubChem (CID 58819292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).