[S-(difluoromethyl)-N-octylsulfonylsulfonimidoyl] hypofluorite

C9H18F3NO4S2 — CID 20705460

IUPAC[S-(difluoromethyl)-N-octylsulfonylsulfonimidoyl] hypofluorite
SMILESCCCCCCCCS(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C9H18F3NO4S2/c1-2-3-4-5-6-7-8-18(14,15)13-19(16,17-12)9(10)11/h9H,2-8H2,1H3
InChIKeyKRXMGZLITGFGJA-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.18
Rot. Bonds10

About [S-(difluoromethyl)-N-octylsulfonylsulfonimidoyl] hypofluorite

[S-(difluoromethyl)-N-octylsulfonylsulfonimidoyl] hypofluorite (PubChem CID 20705460) has the molecular formula C9H18F3NO4S2 and a molecular weight of 325.37 g/mol. Its IUPAC name is [S-(difluoromethyl)-N-octylsulfonylsulfonimidoyl] hypofluorite.

Molecular Properties

Compound Name[S-(difluoromethyl)-N-octylsulfonylsulfonimidoyl] hypofluorite
PubChem CID20705460
Molecular FormulaC9H18F3NO4S2
Molecular Weight325.37 g/mol
Exact Mass325.06
IUPAC Name[S-(difluoromethyl)-N-octylsulfonylsulfonimidoyl] hypofluorite
SMILESCCCCCCCCS(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C9H18F3NO4S2/c1-2-3-4-5-6-7-8-18(14,15)13-19(16,17-12)9(10)11/h9H,2-8H2,1H3
InChIKeyKRXMGZLITGFGJA-UHFFFAOYSA-N
XLogP3.18
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [S-(difluoromethyl)-N-octylsulfonylsulfonimidoyl] hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [S-(difluoromethyl)-N-octylsulfonylsulfonimidoyl] hypofluorite?
The IUPAC name of [S-(difluoromethyl)-N-octylsulfonylsulfonimidoyl] hypofluorite (CID 20705460) is [S-(difluoromethyl)-N-octylsulfonylsulfonimidoyl] hypofluorite.
What is the SMILES notation for [S-(difluoromethyl)-N-octylsulfonylsulfonimidoyl] hypofluorite?
The canonical SMILES for [S-(difluoromethyl)-N-octylsulfonylsulfonimidoyl] hypofluorite is CCCCCCCCS(=O)(=O)N=S(=O)(OF)C(F)F.
What is the InChIKey of [S-(difluoromethyl)-N-octylsulfonylsulfonimidoyl] hypofluorite?
The InChIKey is KRXMGZLITGFGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO4S2/c1-2-3-4-5-6-7-8-18(14,15)13-19(16,17-12)9(10)11/h9H,2-8H2,1H3.
What are the key properties of [S-(difluoromethyl)-N-octylsulfonylsulfonimidoyl] hypofluorite?
[S-(difluoromethyl)-N-octylsulfonylsulfonimidoyl] hypofluorite has a molecular weight of 325.37 g/mol, XLogP of 3.18, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [S-(difluoromethyl)-N-octylsulfonylsulfonimidoyl] hypofluorite is sourced from PubChem (CID 20705460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).