CID 11441475

C8H8AlF6O7S2 — CID 11441475

IUPAC—
SMILESO=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.Oc1ccccc1.[Al]
InChIInChI=1S/C6H6O.2CHF3O3S.Al/c7-6-4-2-1-3-5-6;2*2-1(3,4)8(5,6)7;/h1-5,7H;2*(H,5,6,7);
InChIKeyNMSUGPMOONGTBK-UHFFFAOYSA-N
MW421.25 g/mol
LogP1.80
Rot. Bonds

About CID 11441475

CID 11441475 (PubChem CID 11441475) has the molecular formula C8H8AlF6O7S2 and a molecular weight of 421.25 g/mol.

Molecular Properties

Compound NameCID 11441475
PubChem CID11441475
Molecular FormulaC8H8AlF6O7S2
Molecular Weight421.25 g/mol
Exact Mass420.94
IUPAC Name—
SMILESO=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.Oc1ccccc1.[Al]
InChIInChI=1S/C6H6O.2CHF3O3S.Al/c7-6-4-2-1-3-5-6;2*2-1(3,4)8(5,6)7;/h1-5,7H;2*(H,5,6,7);
InChIKeyNMSUGPMOONGTBK-UHFFFAOYSA-N
XLogP1.80
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.25
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 11441475?
The IUPAC name of CID 11441475 (CID 11441475) is not available.
What is the SMILES notation for CID 11441475?
The canonical SMILES for CID 11441475 is O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.Oc1ccccc1.[Al].
What is the InChIKey of CID 11441475?
The InChIKey is NMSUGPMOONGTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.2CHF3O3S.Al/c7-6-4-2-1-3-5-6;2*2-1(3,4)8(5,6)7;/h1-5,7H;2*(H,5,6,7);.
What are the key properties of CID 11441475?
CID 11441475 has a molecular weight of 421.25 g/mol, XLogP of 1.80, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11441475 is sourced from PubChem (CID 11441475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).