2-fluoro-8-oxabicyclo[3.2.1]oct-6-en-3-ol

C7H9FO2 — CID 172628456

IUPAC2-fluoro-8-oxabicyclo[3.2.1]oct-6-en-3-ol
SMILESOC1CC2C=CC(O2)C1F
InChIInChI=1S/C7H9FO2/c8-7-5(9)3-4-1-2-6(7)10-4/h1-2,4-7,9H,3H2
InChIKeyAWZUZXNBENFPPZ-UHFFFAOYSA-N
MW144.14 g/mol
LogP0.41
Rot. Bonds

About 2-fluoro-8-oxabicyclo[3.2.1]oct-6-en-3-ol

2-fluoro-8-oxabicyclo[3.2.1]oct-6-en-3-ol (PubChem CID 172628456) has the molecular formula C7H9FO2 and a molecular weight of 144.14 g/mol. Its IUPAC name is 2-fluoro-8-oxabicyclo[3.2.1]oct-6-en-3-ol.

Molecular Properties

Compound Name2-fluoro-8-oxabicyclo[3.2.1]oct-6-en-3-ol
PubChem CID172628456
Molecular FormulaC7H9FO2
Molecular Weight144.14 g/mol
Exact Mass144.06
IUPAC Name2-fluoro-8-oxabicyclo[3.2.1]oct-6-en-3-ol
SMILESOC1CC2C=CC(O2)C1F
InChIInChI=1S/C7H9FO2/c8-7-5(9)3-4-1-2-6(7)10-4/h1-2,4-7,9H,3H2
InChIKeyAWZUZXNBENFPPZ-UHFFFAOYSA-N
XLogP0.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluoro-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The IUPAC name of 2-fluoro-8-oxabicyclo[3.2.1]oct-6-en-3-ol (CID 172628456) is 2-fluoro-8-oxabicyclo[3.2.1]oct-6-en-3-ol.
What is the SMILES notation for 2-fluoro-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The canonical SMILES for 2-fluoro-8-oxabicyclo[3.2.1]oct-6-en-3-ol is OC1CC2C=CC(O2)C1F.
What is the InChIKey of 2-fluoro-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The InChIKey is AWZUZXNBENFPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO2/c8-7-5(9)3-4-1-2-6(7)10-4/h1-2,4-7,9H,3H2.
What are the key properties of 2-fluoro-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
2-fluoro-8-oxabicyclo[3.2.1]oct-6-en-3-ol has a molecular weight of 144.14 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-oxabicyclo[3.2.1]oct-6-en-3-ol is sourced from PubChem (CID 172628456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).