butane;disulfinatosulfamoyl(trifluoro)methane;hydrofluoride

C5H11F4NO6S3-2 — CID 174781625

IUPACbutane;disulfinatosulfamoyl(trifluoro)methane;hydrofluoride
SMILESCCCC.F.O=S([O-])N(S(=O)[O-])S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H10.CH2F3NO6S3.FH/c1-3-4-2;2-1(3,4)14(10,11)5(12(6)7)13(8)9;/h3-4H2,1-2H3;(H,6,7)(H,8,9);1H/p-2
InChIKeyYSINSBOSJNAEMA-UHFFFAOYSA-L
MW353.34 g/mol
LogP0.69
Rot. Bonds4

About butane;disulfinatosulfamoyl(trifluoro)methane;hydrofluoride

butane;disulfinatosulfamoyl(trifluoro)methane;hydrofluoride (PubChem CID 174781625) has the molecular formula C5H11F4NO6S3-2 and a molecular weight of 353.34 g/mol. Its IUPAC name is butane;disulfinatosulfamoyl(trifluoro)methane;hydrofluoride.

Molecular Properties

Compound Namebutane;disulfinatosulfamoyl(trifluoro)methane;hydrofluoride
PubChem CID174781625
Molecular FormulaC5H11F4NO6S3-2
Molecular Weight353.34 g/mol
Exact Mass352.97
IUPAC Namebutane;disulfinatosulfamoyl(trifluoro)methane;hydrofluoride
SMILESCCCC.F.O=S([O-])N(S(=O)[O-])S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H10.CH2F3NO6S3.FH/c1-3-4-2;2-1(3,4)14(10,11)5(12(6)7)13(8)9;/h3-4H2,1-2H3;(H,6,7)(H,8,9);1H/p-2
InChIKeyYSINSBOSJNAEMA-UHFFFAOYSA-L
XLogP0.69
TPSA117.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butane;disulfinatosulfamoyl(trifluoro)methane;hydrofluoride?
The IUPAC name of butane;disulfinatosulfamoyl(trifluoro)methane;hydrofluoride (CID 174781625) is butane;disulfinatosulfamoyl(trifluoro)methane;hydrofluoride.
What is the SMILES notation for butane;disulfinatosulfamoyl(trifluoro)methane;hydrofluoride?
The canonical SMILES for butane;disulfinatosulfamoyl(trifluoro)methane;hydrofluoride is CCCC.F.O=S([O-])N(S(=O)[O-])S(=O)(=O)C(F)(F)F.
What is the InChIKey of butane;disulfinatosulfamoyl(trifluoro)methane;hydrofluoride?
The InChIKey is YSINSBOSJNAEMA-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H10.CH2F3NO6S3.FH/c1-3-4-2;2-1(3,4)14(10,11)5(12(6)7)13(8)9;/h3-4H2,1-2H3;(H,6,7)(H,8,9);1H/p-2.
What are the key properties of butane;disulfinatosulfamoyl(trifluoro)methane;hydrofluoride?
butane;disulfinatosulfamoyl(trifluoro)methane;hydrofluoride has a molecular weight of 353.34 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butane;disulfinatosulfamoyl(trifluoro)methane;hydrofluoride is sourced from PubChem (CID 174781625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).