[S-(difluoromethyl)-N-prop-2-enylsulfonylsulfonimidoyl] hypofluorite

C4H6F3NO4S2 — CID 20705422

IUPAC[S-(difluoromethyl)-N-prop-2-enylsulfonylsulfonimidoyl] hypofluorite
SMILESC=CCS(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C4H6F3NO4S2/c1-2-3-13(9,10)8-14(11,12-7)4(5)6/h2,4H,1,3H2
InChIKeyGABYDIULKXJQQR-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.01
Rot. Bonds5

About [S-(difluoromethyl)-N-prop-2-enylsulfonylsulfonimidoyl] hypofluorite

[S-(difluoromethyl)-N-prop-2-enylsulfonylsulfonimidoyl] hypofluorite (PubChem CID 20705422) has the molecular formula C4H6F3NO4S2 and a molecular weight of 253.22 g/mol. Its IUPAC name is [S-(difluoromethyl)-N-prop-2-enylsulfonylsulfonimidoyl] hypofluorite.

Molecular Properties

Compound Name[S-(difluoromethyl)-N-prop-2-enylsulfonylsulfonimidoyl] hypofluorite
PubChem CID20705422
Molecular FormulaC4H6F3NO4S2
Molecular Weight253.22 g/mol
Exact Mass252.97
IUPAC Name[S-(difluoromethyl)-N-prop-2-enylsulfonylsulfonimidoyl] hypofluorite
SMILESC=CCS(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C4H6F3NO4S2/c1-2-3-13(9,10)8-14(11,12-7)4(5)6/h2,4H,1,3H2
InChIKeyGABYDIULKXJQQR-UHFFFAOYSA-N
XLogP1.01
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]sulfonimidoyl] hypofluorite
CID 20720019
[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
Trifluoromethyl prop-2-ene-1-sulfonate
CID 87577592
[Difluoro(prop-2-enylsulfonyloxy)methyl] prop-2-ene-1-sulfonate
CID 87856380
1-Fluoroprop-2-enylsulfonyl 1-fluoroprop-2-ene-1-sulfonate
CID 88192811

Frequently Asked Questions

What is the IUPAC name of [S-(difluoromethyl)-N-prop-2-enylsulfonylsulfonimidoyl] hypofluorite?
The IUPAC name of [S-(difluoromethyl)-N-prop-2-enylsulfonylsulfonimidoyl] hypofluorite (CID 20705422) is [S-(difluoromethyl)-N-prop-2-enylsulfonylsulfonimidoyl] hypofluorite.
What is the SMILES notation for [S-(difluoromethyl)-N-prop-2-enylsulfonylsulfonimidoyl] hypofluorite?
The canonical SMILES for [S-(difluoromethyl)-N-prop-2-enylsulfonylsulfonimidoyl] hypofluorite is C=CCS(=O)(=O)N=S(=O)(OF)C(F)F.
What is the InChIKey of [S-(difluoromethyl)-N-prop-2-enylsulfonylsulfonimidoyl] hypofluorite?
The InChIKey is GABYDIULKXJQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO4S2/c1-2-3-13(9,10)8-14(11,12-7)4(5)6/h2,4H,1,3H2.
What are the key properties of [S-(difluoromethyl)-N-prop-2-enylsulfonylsulfonimidoyl] hypofluorite?
[S-(difluoromethyl)-N-prop-2-enylsulfonylsulfonimidoyl] hypofluorite has a molecular weight of 253.22 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [S-(difluoromethyl)-N-prop-2-enylsulfonylsulfonimidoyl] hypofluorite is sourced from PubChem (CID 20705422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).