methyl-[1,1,3,3-tetrafluoro-3-(trioxidanylsulfanyl)propyl]sulfonylazanide;rubidium(1+)

C4H6F4NO5RbS2 — CID 59833690

IUPACmethyl-[1,1,3,3-tetrafluoro-3-(trioxidanylsulfanyl)propyl]sulfonylazanide;rubidium(1+)
SMILESC[N-]S(=O)(=O)C(F)(F)CC(F)(F)SOOO.[Rb+]
InChIInChI=1S/C4H6F4NO5S2.Rb/c1-9-16(11,12)4(7,8)2-3(5,6)15-14-13-10;/h10H,2H2,1H3;/q-1;+1
InChIKeyNWFWAABSALMMHA-UHFFFAOYSA-N
MW373.69 g/mol
LogP-1.03
Rot. Bonds7

About methyl-[1,1,3,3-tetrafluoro-3-(trioxidanylsulfanyl)propyl]sulfonylazanide;rubidium(1+)

methyl-[1,1,3,3-tetrafluoro-3-(trioxidanylsulfanyl)propyl]sulfonylazanide;rubidium(1+) (PubChem CID 59833690) has the molecular formula C4H6F4NO5RbS2 and a molecular weight of 373.69 g/mol. Its IUPAC name is methyl-[1,1,3,3-tetrafluoro-3-(trioxidanylsulfanyl)propyl]sulfonylazanide;rubidium(1+).

Molecular Properties

Compound Namemethyl-[1,1,3,3-tetrafluoro-3-(trioxidanylsulfanyl)propyl]sulfonylazanide;rubidium(1+)
PubChem CID59833690
Molecular FormulaC4H6F4NO5RbS2
Molecular Weight373.69 g/mol
Exact Mass372.87
IUPAC Namemethyl-[1,1,3,3-tetrafluoro-3-(trioxidanylsulfanyl)propyl]sulfonylazanide;rubidium(1+)
SMILESC[N-]S(=O)(=O)C(F)(F)CC(F)(F)SOOO.[Rb+]
InChIInChI=1S/C4H6F4NO5S2.Rb/c1-9-16(11,12)4(7,8)2-3(5,6)15-14-13-10;/h10H,2H2,1H3;/q-1;+1
InChIKeyNWFWAABSALMMHA-UHFFFAOYSA-N
XLogP-1.03
TPSA86.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.69
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-[1,1,3,3-tetrafluoro-3-(trioxidanylsulfanyl)propyl]sulfonylazanide;rubidium(1+)?
The IUPAC name of methyl-[1,1,3,3-tetrafluoro-3-(trioxidanylsulfanyl)propyl]sulfonylazanide;rubidium(1+) (CID 59833690) is methyl-[1,1,3,3-tetrafluoro-3-(trioxidanylsulfanyl)propyl]sulfonylazanide;rubidium(1+).
What is the SMILES notation for methyl-[1,1,3,3-tetrafluoro-3-(trioxidanylsulfanyl)propyl]sulfonylazanide;rubidium(1+)?
The canonical SMILES for methyl-[1,1,3,3-tetrafluoro-3-(trioxidanylsulfanyl)propyl]sulfonylazanide;rubidium(1+) is C[N-]S(=O)(=O)C(F)(F)CC(F)(F)SOOO.[Rb+].
What is the InChIKey of methyl-[1,1,3,3-tetrafluoro-3-(trioxidanylsulfanyl)propyl]sulfonylazanide;rubidium(1+)?
The InChIKey is NWFWAABSALMMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4NO5S2.Rb/c1-9-16(11,12)4(7,8)2-3(5,6)15-14-13-10;/h10H,2H2,1H3;/q-1;+1.
What are the key properties of methyl-[1,1,3,3-tetrafluoro-3-(trioxidanylsulfanyl)propyl]sulfonylazanide;rubidium(1+)?
methyl-[1,1,3,3-tetrafluoro-3-(trioxidanylsulfanyl)propyl]sulfonylazanide;rubidium(1+) has a molecular weight of 373.69 g/mol, XLogP of -1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[1,1,3,3-tetrafluoro-3-(trioxidanylsulfanyl)propyl]sulfonylazanide;rubidium(1+) is sourced from PubChem (CID 59833690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).