7-oxabicyclo[2.2.1]heptan-2-yloxysulfonyl(trifluoromethylsulfonyl)azanide

C7H9F3NO6S2- — CID 140750699

IUPAC7-oxabicyclo[2.2.1]heptan-2-yloxysulfonyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)OC1CC2CCC1O2
InChIInChI=1S/C7H9F3NO6S2/c8-7(9,10)18(12,13)11-19(14,15)17-6-3-4-1-2-5(6)16-4/h4-6H,1-3H2/q-1
InChIKeyFNGSSPNGZLUCAZ-UHFFFAOYSA-N
MW324.28 g/mol
LogP0.79
Rot. Bonds4

About 7-oxabicyclo[2.2.1]heptan-2-yloxysulfonyl(trifluoromethylsulfonyl)azanide

7-oxabicyclo[2.2.1]heptan-2-yloxysulfonyl(trifluoromethylsulfonyl)azanide (PubChem CID 140750699) has the molecular formula C7H9F3NO6S2- and a molecular weight of 324.28 g/mol. Its IUPAC name is 7-oxabicyclo[2.2.1]heptan-2-yloxysulfonyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name7-oxabicyclo[2.2.1]heptan-2-yloxysulfonyl(trifluoromethylsulfonyl)azanide
PubChem CID140750699
Molecular FormulaC7H9F3NO6S2-
Molecular Weight324.28 g/mol
Exact Mass323.98
IUPAC Name7-oxabicyclo[2.2.1]heptan-2-yloxysulfonyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)OC1CC2CCC1O2
InChIInChI=1S/C7H9F3NO6S2/c8-7(9,10)18(12,13)11-19(14,15)17-6-3-4-1-2-5(6)16-4/h4-6H,1-3H2/q-1
InChIKeyFNGSSPNGZLUCAZ-UHFFFAOYSA-N
XLogP0.79
TPSA100.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[2.2.1]heptan-2-yloxysulfonyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of 7-oxabicyclo[2.2.1]heptan-2-yloxysulfonyl(trifluoromethylsulfonyl)azanide (CID 140750699) is 7-oxabicyclo[2.2.1]heptan-2-yloxysulfonyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for 7-oxabicyclo[2.2.1]heptan-2-yloxysulfonyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for 7-oxabicyclo[2.2.1]heptan-2-yloxysulfonyl(trifluoromethylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OC1CC2CCC1O2.
What is the InChIKey of 7-oxabicyclo[2.2.1]heptan-2-yloxysulfonyl(trifluoromethylsulfonyl)azanide?
The InChIKey is FNGSSPNGZLUCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3NO6S2/c8-7(9,10)18(12,13)11-19(14,15)17-6-3-4-1-2-5(6)16-4/h4-6H,1-3H2/q-1.
What are the key properties of 7-oxabicyclo[2.2.1]heptan-2-yloxysulfonyl(trifluoromethylsulfonyl)azanide?
7-oxabicyclo[2.2.1]heptan-2-yloxysulfonyl(trifluoromethylsulfonyl)azanide has a molecular weight of 324.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[2.2.1]heptan-2-yloxysulfonyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 140750699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).