CID 59015625

HNO4Rf3S2-2 — CID 59015625

IUPAC—
SMILESO=S([O-])NS(=O)[O-].[Rf].[Rf].[Rf]
InChIInChI=1S/H3NO4S2.3Rf/c2-6(3)1-7(4)5;;;/h1H,(H,2,3)(H,4,5);;;/p-2
InChIKeyMYROKMYNBXCNDC-UHFFFAOYSA-L
MW944.15 g/mol
LogP-1.84
Rot. Bonds2

About CID 59015625

CID 59015625 (PubChem CID 59015625) has the molecular formula HNO4Rf3S2-2 and a molecular weight of 944.15 g/mol.

Molecular Properties

Compound NameCID 59015625
PubChem CID59015625
Molecular FormulaHNO4Rf3S2-2
Molecular Weight944.15 g/mol
Exact Mass944.30
IUPAC Name—
SMILESO=S([O-])NS(=O)[O-].[Rf].[Rf].[Rf]
InChIInChI=1S/H3NO4S2.3Rf/c2-6(3)1-7(4)5;;;/h1H,(H,2,3)(H,4,5);;;/p-2
InChIKeyMYROKMYNBXCNDC-UHFFFAOYSA-L
XLogP-1.84
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500944.15
LogP ≤ 5-1.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 CID 59015625?
The IUPAC name of CID 59015625 (CID 59015625) is not available.
What is the SMILES notation for CID 59015625?
The canonical SMILES for CID 59015625 is O=S([O-])NS(=O)[O-].[Rf].[Rf].[Rf].
What is the InChIKey of CID 59015625?
The InChIKey is MYROKMYNBXCNDC-UHFFFAOYSA-L. The full InChI is InChI=1S/H3NO4S2.3Rf/c2-6(3)1-7(4)5;;;/h1H,(H,2,3)(H,4,5);;;/p-2.
What are the key properties of CID 59015625?
CID 59015625 has a molecular weight of 944.15 g/mol, XLogP of -1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59015625 is sourced from PubChem (CID 59015625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).