4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,3-dioxide

C3HF6NO2S2 — CID 18402272

IUPAC4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,3-dioxide
SMILESO=S1NS(=O)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C3HF6NO2S2/c4-1(5)2(6,7)13(11)10-14(12)3(1,8)9/h10H
InChIKeyIRGYHBBQCMJMOQ-UHFFFAOYSA-N
MW261.17 g/mol
LogP0.74
Rot. Bonds

About 4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,3-dioxide

4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,3-dioxide (PubChem CID 18402272) has the molecular formula C3HF6NO2S2 and a molecular weight of 261.17 g/mol. Its IUPAC name is 4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,3-dioxide.

Molecular Properties

Compound Name4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,3-dioxide
PubChem CID18402272
Molecular FormulaC3HF6NO2S2
Molecular Weight261.17 g/mol
Exact Mass260.94
IUPAC Name4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,3-dioxide
SMILESO=S1NS(=O)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C3HF6NO2S2/c4-1(5)2(6,7)13(11)10-14(12)3(1,8)9/h10H
InChIKeyIRGYHBBQCMJMOQ-UHFFFAOYSA-N
XLogP0.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,3-dioxide?
The IUPAC name of 4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,3-dioxide (CID 18402272) is 4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,3-dioxide.
What is the SMILES notation for 4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,3-dioxide?
The canonical SMILES for 4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,3-dioxide is O=S1NS(=O)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,3-dioxide?
The InChIKey is IRGYHBBQCMJMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF6NO2S2/c4-1(5)2(6,7)13(11)10-14(12)3(1,8)9/h10H.
What are the key properties of 4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,3-dioxide?
4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,3-dioxide has a molecular weight of 261.17 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,3-dioxide is sourced from PubChem (CID 18402272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).