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

C6H9F5S5 — CID 91274295

IUPAC1,1,2,2-tetrakis(fluorosulfanyl)hexan-3-yl thiohypofluorite
SMILESCCCC(SF)C(SF)(SF)C(SF)SF
InChIInChI=1S/C6H9F5S5/c1-2-3-4(12-7)6(15-10,16-11)5(13-8)14-9/h4-5H,2-3H2,1H3
InChIKeyHLHNOUUYPMIGBA-UHFFFAOYSA-N
MW336.46 g/mol
LogP6.27
Rot. Bonds9

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

1,1,2,2-tetrakis(fluorosulfanyl)hexan-3-yl thiohypofluorite (PubChem CID 91274295) has the molecular formula C6H9F5S5 and a molecular weight of 336.46 g/mol. Its IUPAC name is 1,1,2,2-tetrakis(fluorosulfanyl)hexan-3-yl thiohypofluorite.

Molecular Properties

Compound Name1,1,2,2-tetrakis(fluorosulfanyl)hexan-3-yl thiohypofluorite
PubChem CID91274295
Molecular FormulaC6H9F5S5
Molecular Weight336.46 g/mol
Exact Mass335.92
IUPAC Name1,1,2,2-tetrakis(fluorosulfanyl)hexan-3-yl thiohypofluorite
SMILESCCCC(SF)C(SF)(SF)C(SF)SF
InChIInChI=1S/C6H9F5S5/c1-2-3-4(12-7)6(15-10,16-11)5(13-8)14-9/h4-5H,2-3H2,1H3
InChIKeyHLHNOUUYPMIGBA-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 56.27
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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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrakis(fluorosulfanyl)hexan-3-yl thiohypofluorite?
The IUPAC name of 1,1,2,2-tetrakis(fluorosulfanyl)hexan-3-yl thiohypofluorite (CID 91274295) is 1,1,2,2-tetrakis(fluorosulfanyl)hexan-3-yl thiohypofluorite.
What is the SMILES notation for 1,1,2,2-tetrakis(fluorosulfanyl)hexan-3-yl thiohypofluorite?
The canonical SMILES for 1,1,2,2-tetrakis(fluorosulfanyl)hexan-3-yl thiohypofluorite is CCCC(SF)C(SF)(SF)C(SF)SF.
What is the InChIKey of 1,1,2,2-tetrakis(fluorosulfanyl)hexan-3-yl thiohypofluorite?
The InChIKey is HLHNOUUYPMIGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5S5/c1-2-3-4(12-7)6(15-10,16-11)5(13-8)14-9/h4-5H,2-3H2,1H3.
What are the key properties of 1,1,2,2-tetrakis(fluorosulfanyl)hexan-3-yl thiohypofluorite?
1,1,2,2-tetrakis(fluorosulfanyl)hexan-3-yl thiohypofluorite has a molecular weight of 336.46 g/mol, XLogP of 6.27, 9 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)hexan-3-yl thiohypofluorite is sourced from PubChem (CID 91274295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).