[S-(difluoromethyl)-N-[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]sulfonimidoyl] hypofluorite

C5H6F6N2O5S3 — CID 20720019

IUPAC[S-(difluoromethyl)-N-[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]sulfonimidoyl] hypofluorite
SMILESC=CCS(=O)(=O)N=S(=O)(N=S(=O)(OF)C(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6N2O5S3/c1-2-3-19(14,15)12-21(17,5(8,9)10)13-20(16,18-11)4(6)7/h2,4H,1,3H2
InChIKeyQMXSCSJODHCTKC-UHFFFAOYSA-N
MW384.30 g/mol
LogP1.91
Rot. Bonds6

About [S-(difluoromethyl)-N-[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]sulfonimidoyl] hypofluorite

[S-(difluoromethyl)-N-[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]sulfonimidoyl] hypofluorite (PubChem CID 20720019) has the molecular formula C5H6F6N2O5S3 and a molecular weight of 384.30 g/mol. Its IUPAC name is [S-(difluoromethyl)-N-[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]sulfonimidoyl] hypofluorite.

Molecular Properties

Compound Name[S-(difluoromethyl)-N-[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]sulfonimidoyl] hypofluorite
PubChem CID20720019
Molecular FormulaC5H6F6N2O5S3
Molecular Weight384.30 g/mol
Exact Mass383.93
IUPAC Name[S-(difluoromethyl)-N-[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]sulfonimidoyl] hypofluorite
SMILESC=CCS(=O)(=O)N=S(=O)(N=S(=O)(OF)C(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6N2O5S3/c1-2-3-19(14,15)12-21(17,5(8,9)10)13-20(16,18-11)4(6)7/h2,4H,1,3H2
InChIKeyQMXSCSJODHCTKC-UHFFFAOYSA-N
XLogP1.91
TPSA102.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[difluoromethoxy-oxo-(trifluoromethyl)-lambda6-sulfanylidene]prop-2-ene-1-sulfonamide
CID 20705408
[S-(difluoromethyl)-N-prop-2-enylsulfonylsulfonimidoyl] hypofluorite
CID 20705422
[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide
CID 20750477
N-[oxo-(trifluoromethyl)-(trifluoromethylsulfonylamino)-lambda6-sulfanylidene]prop-2-ene-1-sulfonamide
CID 20750478
Prop-2-enylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59046752
N-(trifluoromethylsulfonyl)prop-2-ene-1-sulfonamide
CID 59046753
1-fluoro-N-(1-fluoroprop-2-enylsulfonyl)prop-2-ene-1-sulfonamide
CID 87173769
3-(2,2,2-Trifluoroethylsulfonylsulfonyl)prop-1-ene
CID 87303488
3-(Trifluoromethylsulfonylsulfonyl)prop-1-ene
CID 87442667
Trifluoromethylsulfonyl prop-2-ene-1-sulfonate
CID 88246578
1,1,1-trifluoro-N-prop-2-enylsulfonyl-N'-(trifluoromethylsulfonyl)methanesulfonodiimidic acid
CID 90726522
1,3,3-trifluoro-N-(1,3,3-trifluoroprop-2-enylsulfonyl)prop-2-ene-1-sulfonamide
CID 118292867

Frequently Asked Questions

What is the IUPAC name of [S-(difluoromethyl)-N-[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]sulfonimidoyl] hypofluorite?
The IUPAC name of [S-(difluoromethyl)-N-[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]sulfonimidoyl] hypofluorite (CID 20720019) is [S-(difluoromethyl)-N-[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]sulfonimidoyl] hypofluorite.
What is the SMILES notation for [S-(difluoromethyl)-N-[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]sulfonimidoyl] hypofluorite?
The canonical SMILES for [S-(difluoromethyl)-N-[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]sulfonimidoyl] hypofluorite is C=CCS(=O)(=O)N=S(=O)(N=S(=O)(OF)C(F)F)C(F)(F)F.
What is the InChIKey of [S-(difluoromethyl)-N-[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]sulfonimidoyl] hypofluorite?
The InChIKey is QMXSCSJODHCTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6N2O5S3/c1-2-3-19(14,15)12-21(17,5(8,9)10)13-20(16,18-11)4(6)7/h2,4H,1,3H2.
What are the key properties of [S-(difluoromethyl)-N-[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]sulfonimidoyl] hypofluorite?
[S-(difluoromethyl)-N-[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]sulfonimidoyl] hypofluorite has a molecular weight of 384.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [S-(difluoromethyl)-N-[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]sulfonimidoyl] hypofluorite is sourced from PubChem (CID 20720019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).