2,3,3-trifluorobicyclo[2.2.1]hept-5-en-2-ol

C7H7F3O — CID 71419743

IUPAC2,3,3-trifluorobicyclo[2.2.1]hept-5-en-2-ol
SMILESOC1(F)C2C=CC(C2)C1(F)F
InChIInChI=1S/C7H7F3O/c8-6(9)4-1-2-5(3-4)7(6,10)11/h1-2,4-5,11H,3H2
InChIKeyYMWSYKIRRYFOBE-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.49
Rot. Bonds

About 2,3,3-trifluorobicyclo[2.2.1]hept-5-en-2-ol

2,3,3-trifluorobicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 71419743) has the molecular formula C7H7F3O and a molecular weight of 164.13 g/mol. Its IUPAC name is 2,3,3-trifluorobicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name2,3,3-trifluorobicyclo[2.2.1]hept-5-en-2-ol
PubChem CID71419743
Molecular FormulaC7H7F3O
Molecular Weight164.13 g/mol
Exact Mass164.04
IUPAC Name2,3,3-trifluorobicyclo[2.2.1]hept-5-en-2-ol
SMILESOC1(F)C2C=CC(C2)C1(F)F
InChIInChI=1S/C7H7F3O/c8-6(9)4-1-2-5(3-4)7(6,10)11/h1-2,4-5,11H,3H2
InChIKeyYMWSYKIRRYFOBE-UHFFFAOYSA-N
XLogP1.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluorobicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of 2,3,3-trifluorobicyclo[2.2.1]hept-5-en-2-ol (CID 71419743) is 2,3,3-trifluorobicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for 2,3,3-trifluorobicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for 2,3,3-trifluorobicyclo[2.2.1]hept-5-en-2-ol is OC1(F)C2C=CC(C2)C1(F)F.
What is the InChIKey of 2,3,3-trifluorobicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is YMWSYKIRRYFOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O/c8-6(9)4-1-2-5(3-4)7(6,10)11/h1-2,4-5,11H,3H2.
What are the key properties of 2,3,3-trifluorobicyclo[2.2.1]hept-5-en-2-ol?
2,3,3-trifluorobicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 164.13 g/mol, XLogP of 1.49, 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]hept-5-en-2-ol is sourced from PubChem (CID 71419743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).