(1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride

C6H9FO3S — CID 124709335

IUPAC(1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride
SMILESO=S(=O)(F)[C@H]1C[C@H]2CC[C@H]1O2
InChIInChI=1S/C6H9FO3S/c7-11(8,9)6-3-4-1-2-5(6)10-4/h4-6H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyIZEWVMLWIPUQNA-PBXRRBTRSA-N
MW180.20 g/mol
LogP0.61
Rot. Bonds1

About (1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride

(1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride (PubChem CID 124709335) has the molecular formula C6H9FO3S and a molecular weight of 180.20 g/mol. Its IUPAC name is (1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride.

Molecular Properties

Compound Name(1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride
PubChem CID124709335
Molecular FormulaC6H9FO3S
Molecular Weight180.20 g/mol
Exact Mass180.03
IUPAC Name(1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride
SMILESO=S(=O)(F)[C@H]1C[C@H]2CC[C@H]1O2
InChIInChI=1S/C6H9FO3S/c7-11(8,9)6-3-4-1-2-5(6)10-4/h4-6H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyIZEWVMLWIPUQNA-PBXRRBTRSA-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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride?
The IUPAC name of (1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride (CID 124709335) is (1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride.
What is the SMILES notation for (1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride?
The canonical SMILES for (1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride is O=S(=O)(F)[C@H]1C[C@H]2CC[C@H]1O2.
What is the InChIKey of (1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride?
The InChIKey is IZEWVMLWIPUQNA-PBXRRBTRSA-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/t4-,5-,6+/m1/s1.
What are the key properties of (1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride?
(1R,2S,4R)-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 (1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl fluoride is sourced from PubChem (CID 124709335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).