oxolan-3-yloxysulfonyl(trifluoromethylsulfonyl)azanide

C5H7F3NO6S2- — CID 140750805

IUPACoxolan-3-yloxysulfonyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)OC1CCOC1
InChIInChI=1S/C5H7F3NO6S2/c6-5(7,8)16(10,11)9-17(12,13)15-4-1-2-14-3-4/h4H,1-3H2/q-1
InChIKeyQGKNRNWXBISCNL-UHFFFAOYSA-N
MW298.24 g/mol
LogP0.26
Rot. Bonds4

About oxolan-3-yloxysulfonyl(trifluoromethylsulfonyl)azanide

oxolan-3-yloxysulfonyl(trifluoromethylsulfonyl)azanide (PubChem CID 140750805) has the molecular formula C5H7F3NO6S2- and a molecular weight of 298.24 g/mol. Its IUPAC name is oxolan-3-yloxysulfonyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Nameoxolan-3-yloxysulfonyl(trifluoromethylsulfonyl)azanide
PubChem CID140750805
Molecular FormulaC5H7F3NO6S2-
Molecular Weight298.24 g/mol
Exact Mass297.97
IUPAC Nameoxolan-3-yloxysulfonyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)OC1CCOC1
InChIInChI=1S/C5H7F3NO6S2/c6-5(7,8)16(10,11)9-17(12,13)15-4-1-2-14-3-4/h4H,1-3H2/q-1
InChIKeyQGKNRNWXBISCNL-UHFFFAOYSA-N
XLogP0.26
TPSA100.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

oxan-4-yl trifluoromethanesulfonate
CID 22736208
3-(trifluoromethoxy)oxolane
CID 89404846
2-adamantyloxysulfonyl-[cyclopentyloxysulfonyl(difluoro)methyl]sulfonylazanide
CID 140750687
[(3S)-oxolan-3-yl] formate
CID 22868233
3-(oxolan-3-yloxy)oxolane
CID 57449306
(3S)-3-[(3S)-oxolan-3-yl]oxyoxolane
CID 142760220
[(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate
CID 171836010
tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)
CID 158320833
[(3R)-oxolan-3-yl] hydrogen carbonate
CID 67122885
CID 163830493
CID 163830493
oxolan-3-yloxyphosphane
CID 163403367
[(3R)-oxolan-3-yl] nitrite
CID 145031788

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yloxysulfonyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of oxolan-3-yloxysulfonyl(trifluoromethylsulfonyl)azanide (CID 140750805) is oxolan-3-yloxysulfonyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for oxolan-3-yloxysulfonyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for oxolan-3-yloxysulfonyl(trifluoromethylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OC1CCOC1.
What is the InChIKey of oxolan-3-yloxysulfonyl(trifluoromethylsulfonyl)azanide?
The InChIKey is QGKNRNWXBISCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3NO6S2/c6-5(7,8)16(10,11)9-17(12,13)15-4-1-2-14-3-4/h4H,1-3H2/q-1.
What are the key properties of oxolan-3-yloxysulfonyl(trifluoromethylsulfonyl)azanide?
oxolan-3-yloxysulfonyl(trifluoromethylsulfonyl)azanide has a molecular weight of 298.24 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yloxysulfonyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 140750805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).