7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride

C6H9FO3S — CID 119056968

IUPAC7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride
SMILESO=S(=O)(F)C1CC2CCC1O2
InChIInChI=1S/C6H9FO3S/c7-11(8,9)6-3-4-1-2-5(6)10-4/h4-6H,1-3H2
InChIKeyIZEWVMLWIPUQNA-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.61
Rot. Bonds1

About 7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride

7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride (PubChem CID 119056968) has the molecular formula C6H9FO3S and a molecular weight of 180.20 g/mol. Its IUPAC name is 7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride.

Molecular Properties

Compound Name7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride
PubChem CID119056968
Molecular FormulaC6H9FO3S
Molecular Weight180.20 g/mol
Exact Mass180.03
IUPAC Name7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride
SMILESO=S(=O)(F)C1CC2CCC1O2
InChIInChI=1S/C6H9FO3S/c7-11(8,9)6-3-4-1-2-5(6)10-4/h4-6H,1-3H2
InChIKeyIZEWVMLWIPUQNA-UHFFFAOYSA-N
XLogP0.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride?
The IUPAC name of 7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride (CID 119056968) is 7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride.
What is the SMILES notation for 7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride?
The canonical SMILES for 7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride is O=S(=O)(F)C1CC2CCC1O2.
What is the InChIKey of 7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride?
The InChIKey is IZEWVMLWIPUQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO3S/c7-11(8,9)6-3-4-1-2-5(6)10-4/h4-6H,1-3H2.
What are the key properties of 7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride?
7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride has a molecular weight of 180.20 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride is sourced from PubChem (CID 119056968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).