[S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite

C3H3F6NO4S2 — CID 20705435

IUPAC[S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite
SMILESO=S(=O)(CC(F)(F)F)N=S(=O)(OF)C(F)F
InChIInChI=1S/C3H3F6NO4S2/c4-2(5)16(13,14-9)10-15(11,12)1-3(6,7)8/h2H,1H2
InChIKeyYGJFBEACDSLLOW-UHFFFAOYSA-N
MW295.18 g/mol
LogP1.39
Rot. Bonds4

About [S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite

[S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite (PubChem CID 20705435) has the molecular formula C3H3F6NO4S2 and a molecular weight of 295.18 g/mol. Its IUPAC name is [S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite.

Molecular Properties

Compound Name[S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite
PubChem CID20705435
Molecular FormulaC3H3F6NO4S2
Molecular Weight295.18 g/mol
Exact Mass294.94
IUPAC Name[S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite
SMILESO=S(=O)(CC(F)(F)F)N=S(=O)(OF)C(F)F
InChIInChI=1S/C3H3F6NO4S2/c4-2(5)16(13,14-9)10-15(11,12)1-3(6,7)8/h2H,1H2
InChIKeyYGJFBEACDSLLOW-UHFFFAOYSA-N
XLogP1.39
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,2,2-Tetrafluoroethane-1-sulfonamide
CID 87668762
1,2,2,3-Tetrafluoropropane-1,3-disulfonyl difluoride
CID 13223786
1,1,1,3,3,3-Hexafluoropropane-2-sulfonamide
CID 165867610
2,2,2-Trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate
CID 12727408
N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 18352286
2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 22061690
2,2,2-Trifluoroethane-1,1-disulfonamide
CID 22967973
4,4,5,5-Tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 23593419
1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide
CID 53348267
4,4-Difluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide
CID 57669244
4,4,5,5,6-Pentafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 58220487
Ethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide
CID 58352251

Frequently Asked Questions

What is the IUPAC name of [S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite?
The IUPAC name of [S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite (CID 20705435) is [S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite.
What is the SMILES notation for [S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite?
The canonical SMILES for [S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite is O=S(=O)(CC(F)(F)F)N=S(=O)(OF)C(F)F.
What is the InChIKey of [S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite?
The InChIKey is YGJFBEACDSLLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F6NO4S2/c4-2(5)16(13,14-9)10-15(11,12)1-3(6,7)8/h2H,1H2.
What are the key properties of [S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite?
[S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite has a molecular weight of 295.18 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite is sourced from PubChem (CID 20705435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).