1,1,2,2-tetrakis(fluorosulfanyl)pentan-3-yl thiohypofluorite

C5H7F5S5 — CID 91265508

IUPAC1,1,2,2-tetrakis(fluorosulfanyl)pentan-3-yl thiohypofluorite
SMILESCCC(SF)C(SF)(SF)C(SF)SF
InChIInChI=1S/C5H7F5S5/c1-2-3(11-6)5(14-9,15-10)4(12-7)13-8/h3-4H,2H2,1H3
InChIKeyXASCNZDXMYOHBE-UHFFFAOYSA-N
MW322.44 g/mol
LogP5.88
Rot. Bonds8

About 1,1,2,2-tetrakis(fluorosulfanyl)pentan-3-yl thiohypofluorite

1,1,2,2-tetrakis(fluorosulfanyl)pentan-3-yl thiohypofluorite (PubChem CID 91265508) has the molecular formula C5H7F5S5 and a molecular weight of 322.44 g/mol. Its IUPAC name is 1,1,2,2-tetrakis(fluorosulfanyl)pentan-3-yl thiohypofluorite.

Molecular Properties

Compound Name1,1,2,2-tetrakis(fluorosulfanyl)pentan-3-yl thiohypofluorite
PubChem CID91265508
Molecular FormulaC5H7F5S5
Molecular Weight322.44 g/mol
Exact Mass321.91
IUPAC Name1,1,2,2-tetrakis(fluorosulfanyl)pentan-3-yl thiohypofluorite
SMILESCCC(SF)C(SF)(SF)C(SF)SF
InChIInChI=1S/C5H7F5S5/c1-2-3(11-6)5(14-9,15-10)4(12-7)13-8/h3-4H,2H2,1H3
InChIKeyXASCNZDXMYOHBE-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.44
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Pentafluoro(pentyl)-lambda6-sulfane
CID 87183785
1,1,2,2-Tetrakis(fluorosulfanyl)hexan-3-yl thiohypofluorite
CID 91274295
1,1,2-Tris(fluorosulfanyl)propan-2-yl thiohypofluorite
CID 174598277

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrakis(fluorosulfanyl)pentan-3-yl thiohypofluorite?
The IUPAC name of 1,1,2,2-tetrakis(fluorosulfanyl)pentan-3-yl thiohypofluorite (CID 91265508) is 1,1,2,2-tetrakis(fluorosulfanyl)pentan-3-yl thiohypofluorite.
What is the SMILES notation for 1,1,2,2-tetrakis(fluorosulfanyl)pentan-3-yl thiohypofluorite?
The canonical SMILES for 1,1,2,2-tetrakis(fluorosulfanyl)pentan-3-yl thiohypofluorite is CCC(SF)C(SF)(SF)C(SF)SF.
What is the InChIKey of 1,1,2,2-tetrakis(fluorosulfanyl)pentan-3-yl thiohypofluorite?
The InChIKey is XASCNZDXMYOHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5S5/c1-2-3(11-6)5(14-9,15-10)4(12-7)13-8/h3-4H,2H2,1H3.
What are the key properties of 1,1,2,2-tetrakis(fluorosulfanyl)pentan-3-yl thiohypofluorite?
1,1,2,2-tetrakis(fluorosulfanyl)pentan-3-yl thiohypofluorite has a molecular weight of 322.44 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrakis(fluorosulfanyl)pentan-3-yl thiohypofluorite is sourced from PubChem (CID 91265508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).