4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide

C3F6NO4S2- — CID 18684094

IUPAC4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
SMILESO=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C3F6NO4S2/c4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/q-1
InChIKeyRGMUYNJYEJONNA-UHFFFAOYSA-N
MW292.16 g/mol
LogP0.85
Rot. Bonds

About 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide

4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide (PubChem CID 18684094) has the molecular formula C3F6NO4S2- and a molecular weight of 292.16 g/mol. Its IUPAC name is 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
PubChem CID18684094
Molecular FormulaC3F6NO4S2-
Molecular Weight292.16 g/mol
Exact Mass291.92
IUPAC Name4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
SMILESO=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C3F6NO4S2/c4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/q-1
InChIKeyRGMUYNJYEJONNA-UHFFFAOYSA-N
XLogP0.85
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3-Hexafluoropropane-1,3-disulfonimide
CID 11208600
Lithium 1,1,2,2,3,3-Hexafluoropropane-1,3-disulfonimide
CID 44630347
Potassium 1,1,2,2,3,3-Hexafluoropropane-1,3-disulfonimide
CID 44630348
2,4,4,5,5,6,6-Heptafluoro-[1,3,2]dithiazinane 1,1,3,3-tetraoxide
CID 13926695
3,3,4,4,5,5-Hexafluoro-1,2lambda~6~,6lambda~6~-oxadithiane-2,2,6,6-tetrone
CID 20749597
4,4,5,5-Tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 23593419
4,4,5,5,6-Pentafluoro-6-(trifluoromethyl)-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 58059858
4,4,5,5,6-Pentafluoro-6-(trifluoromethyl)-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 58059859
4,4,5,5,6-Pentafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 58220487
4,4,5,5,6-Pentafluoro-6-methyl-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 58341495
4,4,6,6-Tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 58481020
4,4,6,6-Tetrafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 58481021

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The IUPAC name of 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide (CID 18684094) is 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide.
What is the SMILES notation for 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The canonical SMILES for 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide is O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The InChIKey is RGMUYNJYEJONNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F6NO4S2/c4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/q-1.
What are the key properties of 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide has a molecular weight of 292.16 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide is sourced from PubChem (CID 18684094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).