[S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite

C5H9F4NO4S2 — CID 20705431

IUPAC[S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite
SMILESCCC(CF)S(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C5H9F4NO4S2/c1-2-4(3-6)15(11,12)10-16(13,14-9)5(7)8/h4-5H,2-3H2,1H3
InChIKeySNZHYMQGMXVZAB-UHFFFAOYSA-N
MW287.26 g/mol
LogP1.57
Rot. Bonds6

About [S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite

[S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite (PubChem CID 20705431) has the molecular formula C5H9F4NO4S2 and a molecular weight of 287.26 g/mol. Its IUPAC name is [S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite.

Molecular Properties

Compound Name[S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite
PubChem CID20705431
Molecular FormulaC5H9F4NO4S2
Molecular Weight287.26 g/mol
Exact Mass286.99
IUPAC Name[S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite
SMILESCCC(CF)S(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C5H9F4NO4S2/c1-2-4(3-6)15(11,12)10-16(13,14-9)5(7)8/h4-5H,2-3H2,1H3
InChIKeySNZHYMQGMXVZAB-UHFFFAOYSA-N
XLogP1.57
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite?
The IUPAC name of [S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite (CID 20705431) is [S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite.
What is the SMILES notation for [S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite?
The canonical SMILES for [S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite is CCC(CF)S(=O)(=O)N=S(=O)(OF)C(F)F.
What is the InChIKey of [S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite?
The InChIKey is SNZHYMQGMXVZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F4NO4S2/c1-2-4(3-6)15(11,12)10-16(13,14-9)5(7)8/h4-5H,2-3H2,1H3.
What are the key properties of [S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite?
[S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite has a molecular weight of 287.26 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite is sourced from PubChem (CID 20705431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).