CID 170997250

C2F6MnO6S2-2 — CID 170997250

IUPAC—
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mn]
InChIInChI=1S/2CHF3O3S.Mn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/p-2
InChIKeyPNLVFLLUCISQES-UHFFFAOYSA-L
MW353.08 g/mol
LogP0.10
Rot. Bonds

About CID 170997250

CID 170997250 (PubChem CID 170997250) has the molecular formula C2F6MnO6S2-2 and a molecular weight of 353.08 g/mol.

Molecular Properties

Compound NameCID 170997250
PubChem CID170997250
Molecular FormulaC2F6MnO6S2-2
Molecular Weight353.08 g/mol
Exact Mass352.84
IUPAC Name—
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mn]
InChIInChI=1S/2CHF3O3S.Mn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/p-2
InChIKeyPNLVFLLUCISQES-UHFFFAOYSA-L
XLogP0.10
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.08
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 170997250?
The IUPAC name of CID 170997250 (CID 170997250) is not available.
What is the SMILES notation for CID 170997250?
The canonical SMILES for CID 170997250 is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mn].
What is the InChIKey of CID 170997250?
The InChIKey is PNLVFLLUCISQES-UHFFFAOYSA-L. The full InChI is InChI=1S/2CHF3O3S.Mn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/p-2.
What are the key properties of CID 170997250?
CID 170997250 has a molecular weight of 353.08 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170997250 is sourced from PubChem (CID 170997250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).