CID 23208478

F3O9S3Sm — CID 23208478

IUPAC—
SMILESO=S(=O)([O-])F.O=S(=O)([O-])F.O=S(=O)([O-])F.[Sm+3]
InChIInChI=1S/3FHO3S.Sm/c3*1-5(2,3)4;/h3*(H,2,3,4);/q;;;+3/p-3
InChIKeyQSUFMOBJFJPTLF-UHFFFAOYSA-K
MW447.55 g/mol
LogP-1.75
Rot. Bonds

About CID 23208478

CID 23208478 (PubChem CID 23208478) has the molecular formula F3O9S3Sm and a molecular weight of 447.55 g/mol.

Molecular Properties

Compound NameCID 23208478
PubChem CID23208478
Molecular FormulaF3O9S3Sm
Molecular Weight447.55 g/mol
Exact Mass448.79
IUPAC Name—
SMILESO=S(=O)([O-])F.O=S(=O)([O-])F.O=S(=O)([O-])F.[Sm+3]
InChIInChI=1S/3FHO3S.Sm/c3*1-5(2,3)4;/h3*(H,2,3,4);/q;;;+3/p-3
InChIKeyQSUFMOBJFJPTLF-UHFFFAOYSA-K
XLogP-1.75
TPSA171.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 5-1.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 23208478?
The IUPAC name of CID 23208478 (CID 23208478) is not available.
What is the SMILES notation for CID 23208478?
The canonical SMILES for CID 23208478 is O=S(=O)([O-])F.O=S(=O)([O-])F.O=S(=O)([O-])F.[Sm+3].
What is the InChIKey of CID 23208478?
The InChIKey is QSUFMOBJFJPTLF-UHFFFAOYSA-K. The full InChI is InChI=1S/3FHO3S.Sm/c3*1-5(2,3)4;/h3*(H,2,3,4);/q;;;+3/p-3.
What are the key properties of CID 23208478?
CID 23208478 has a molecular weight of 447.55 g/mol, XLogP of -1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23208478 is sourced from PubChem (CID 23208478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).