1,1,2-tris(fluorosulfanyl)propan-2-yl thiohypofluorite

C3H4F4S4 — CID 174598277

IUPAC1,1,2-tris(fluorosulfanyl)propan-2-yl thiohypofluorite
SMILESCC(SF)(SF)C(SF)SF
InChIInChI=1S/C3H4F4S4/c1-3(10-6,11-7)2(8-4)9-5/h2H,1H3
InChIKeyVICPIUTUDCQGHO-UHFFFAOYSA-N
MW244.32 g/mol
LogP4.50
Rot. Bonds5

About 1,1,2-tris(fluorosulfanyl)propan-2-yl thiohypofluorite

1,1,2-tris(fluorosulfanyl)propan-2-yl thiohypofluorite (PubChem CID 174598277) has the molecular formula C3H4F4S4 and a molecular weight of 244.32 g/mol. Its IUPAC name is 1,1,2-tris(fluorosulfanyl)propan-2-yl thiohypofluorite.

Molecular Properties

Compound Name1,1,2-tris(fluorosulfanyl)propan-2-yl thiohypofluorite
PubChem CID174598277
Molecular FormulaC3H4F4S4
Molecular Weight244.32 g/mol
Exact Mass243.91
IUPAC Name1,1,2-tris(fluorosulfanyl)propan-2-yl thiohypofluorite
SMILESCC(SF)(SF)C(SF)SF
InChIInChI=1S/C3H4F4S4/c1-3(10-6,11-7)2(8-4)9-5/h2H,1H3
InChIKeyVICPIUTUDCQGHO-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-tris(fluorosulfanyl)propan-2-yl thiohypofluorite?
The IUPAC name of 1,1,2-tris(fluorosulfanyl)propan-2-yl thiohypofluorite (CID 174598277) is 1,1,2-tris(fluorosulfanyl)propan-2-yl thiohypofluorite.
What is the SMILES notation for 1,1,2-tris(fluorosulfanyl)propan-2-yl thiohypofluorite?
The canonical SMILES for 1,1,2-tris(fluorosulfanyl)propan-2-yl thiohypofluorite is CC(SF)(SF)C(SF)SF.
What is the InChIKey of 1,1,2-tris(fluorosulfanyl)propan-2-yl thiohypofluorite?
The InChIKey is VICPIUTUDCQGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4S4/c1-3(10-6,11-7)2(8-4)9-5/h2H,1H3.
What are the key properties of 1,1,2-tris(fluorosulfanyl)propan-2-yl thiohypofluorite?
1,1,2-tris(fluorosulfanyl)propan-2-yl thiohypofluorite has a molecular weight of 244.32 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris(fluorosulfanyl)propan-2-yl thiohypofluorite is sourced from PubChem (CID 174598277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).