[S-(difluoromethyl)-N-[2-(2-ethenoxyethoxy)ethylsulfonyl]sulfonimidoyl] hypofluorite

C7H12F3NO6S2 — CID 20705437

IUPAC[S-(difluoromethyl)-N-[2-(2-ethenoxyethoxy)ethylsulfonyl]sulfonimidoyl] hypofluorite
SMILESC=COCCOCCS(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C7H12F3NO6S2/c1-2-15-3-4-16-5-6-18(12,13)11-19(14,17-10)7(8)9/h2,7H,1,3-6H2
InChIKeyWSXJCOCELKTNLI-UHFFFAOYSA-N
MW327.30 g/mol
LogP1.00
Rot. Bonds10

About [S-(difluoromethyl)-N-[2-(2-ethenoxyethoxy)ethylsulfonyl]sulfonimidoyl] hypofluorite

[S-(difluoromethyl)-N-[2-(2-ethenoxyethoxy)ethylsulfonyl]sulfonimidoyl] hypofluorite (PubChem CID 20705437) has the molecular formula C7H12F3NO6S2 and a molecular weight of 327.30 g/mol. Its IUPAC name is [S-(difluoromethyl)-N-[2-(2-ethenoxyethoxy)ethylsulfonyl]sulfonimidoyl] hypofluorite.

Molecular Properties

Compound Name[S-(difluoromethyl)-N-[2-(2-ethenoxyethoxy)ethylsulfonyl]sulfonimidoyl] hypofluorite
PubChem CID20705437
Molecular FormulaC7H12F3NO6S2
Molecular Weight327.30 g/mol
Exact Mass327.01
IUPAC Name[S-(difluoromethyl)-N-[2-(2-ethenoxyethoxy)ethylsulfonyl]sulfonimidoyl] hypofluorite
SMILESC=COCCOCCS(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C7H12F3NO6S2/c1-2-15-3-4-16-5-6-18(12,13)11-19(14,17-10)7(8)9/h2,7H,1,3-6H2
InChIKeyWSXJCOCELKTNLI-UHFFFAOYSA-N
XLogP1.00
TPSA91.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [S-(difluoromethyl)-N-[2-(2-ethenoxyethoxy)ethylsulfonyl]sulfonimidoyl] hypofluorite?
The IUPAC name of [S-(difluoromethyl)-N-[2-(2-ethenoxyethoxy)ethylsulfonyl]sulfonimidoyl] hypofluorite (CID 20705437) is [S-(difluoromethyl)-N-[2-(2-ethenoxyethoxy)ethylsulfonyl]sulfonimidoyl] hypofluorite.
What is the SMILES notation for [S-(difluoromethyl)-N-[2-(2-ethenoxyethoxy)ethylsulfonyl]sulfonimidoyl] hypofluorite?
The canonical SMILES for [S-(difluoromethyl)-N-[2-(2-ethenoxyethoxy)ethylsulfonyl]sulfonimidoyl] hypofluorite is C=COCCOCCS(=O)(=O)N=S(=O)(OF)C(F)F.
What is the InChIKey of [S-(difluoromethyl)-N-[2-(2-ethenoxyethoxy)ethylsulfonyl]sulfonimidoyl] hypofluorite?
The InChIKey is WSXJCOCELKTNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO6S2/c1-2-15-3-4-16-5-6-18(12,13)11-19(14,17-10)7(8)9/h2,7H,1,3-6H2.
What are the key properties of [S-(difluoromethyl)-N-[2-(2-ethenoxyethoxy)ethylsulfonyl]sulfonimidoyl] hypofluorite?
[S-(difluoromethyl)-N-[2-(2-ethenoxyethoxy)ethylsulfonyl]sulfonimidoyl] hypofluorite has a molecular weight of 327.30 g/mol, XLogP of 1.00, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [S-(difluoromethyl)-N-[2-(2-ethenoxyethoxy)ethylsulfonyl]sulfonimidoyl] hypofluorite is sourced from PubChem (CID 20705437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).