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

C15H26F7NO4S2 — CID 20705430

IUPAC[S-(difluoromethyl)-N-(1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl)sulfonimidoyl] hypofluorite
SMILESCCCCCCCCCCCCC(F)(C(F)(F)F)S(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C15H26F7NO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-14(18,15(19,20)21)29(25,26)23-28(24,27-22)13(16)17/h13H,2-12H2,1H3
InChIKeyYGHSQRHFWCSJBF-UHFFFAOYSA-N
MW481.50 g/mol
LogP6.36
Rot. Bonds15

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

[S-(difluoromethyl)-N-(1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl)sulfonimidoyl] hypofluorite (PubChem CID 20705430) has the molecular formula C15H26F7NO4S2 and a molecular weight of 481.50 g/mol. Its IUPAC name is [S-(difluoromethyl)-N-(1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl)sulfonimidoyl] hypofluorite.

Molecular Properties

Compound Name[S-(difluoromethyl)-N-(1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl)sulfonimidoyl] hypofluorite
PubChem CID20705430
Molecular FormulaC15H26F7NO4S2
Molecular Weight481.50 g/mol
Exact Mass481.12
IUPAC Name[S-(difluoromethyl)-N-(1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl)sulfonimidoyl] hypofluorite
SMILESCCCCCCCCCCCCC(F)(C(F)(F)F)S(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C15H26F7NO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-14(18,15(19,20)21)29(25,26)23-28(24,27-22)13(16)17/h13H,2-12H2,1H3
InChIKeyYGHSQRHFWCSJBF-UHFFFAOYSA-N
XLogP6.36
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.50
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [S-(difluoromethyl)-N-(1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl)sulfonimidoyl] hypofluorite?
The IUPAC name of [S-(difluoromethyl)-N-(1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl)sulfonimidoyl] hypofluorite (CID 20705430) is [S-(difluoromethyl)-N-(1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl)sulfonimidoyl] hypofluorite.
What is the SMILES notation for [S-(difluoromethyl)-N-(1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl)sulfonimidoyl] hypofluorite?
The canonical SMILES for [S-(difluoromethyl)-N-(1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl)sulfonimidoyl] hypofluorite is CCCCCCCCCCCCC(F)(C(F)(F)F)S(=O)(=O)N=S(=O)(OF)C(F)F.
What is the InChIKey of [S-(difluoromethyl)-N-(1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl)sulfonimidoyl] hypofluorite?
The InChIKey is YGHSQRHFWCSJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F7NO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-14(18,15(19,20)21)29(25,26)23-28(24,27-22)13(16)17/h13H,2-12H2,1H3.
What are the key properties of [S-(difluoromethyl)-N-(1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl)sulfonimidoyl] hypofluorite?
[S-(difluoromethyl)-N-(1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl)sulfonimidoyl] hypofluorite has a molecular weight of 481.50 g/mol, XLogP of 6.36, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [S-(difluoromethyl)-N-(1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl)sulfonimidoyl] hypofluorite is sourced from PubChem (CID 20705430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).