4,4,5,5-tetrafluoro-2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide

C4H4F4O4S2 — CID 15191412

IUPAC4,4,5,5-tetrafluoro-2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide
SMILESCC1S(=O)(=O)C(F)(F)C(F)(F)S1(=O)=O
InChIInChI=1S/C4H4F4O4S2/c1-2-13(9,10)3(5,6)4(7,8)14(2,11)12/h2H,1H3
InChIKeyVUMURFHLRUBYGE-UHFFFAOYSA-N
MW256.20 g/mol
LogP0.36
Rot. Bonds

About 4,4,5,5-tetrafluoro-2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide

4,4,5,5-tetrafluoro-2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide (PubChem CID 15191412) has the molecular formula C4H4F4O4S2 and a molecular weight of 256.20 g/mol. Its IUPAC name is 4,4,5,5-tetrafluoro-2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name4,4,5,5-tetrafluoro-2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide
PubChem CID15191412
Molecular FormulaC4H4F4O4S2
Molecular Weight256.20 g/mol
Exact Mass255.95
IUPAC Name4,4,5,5-tetrafluoro-2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide
SMILESCC1S(=O)(=O)C(F)(F)C(F)(F)S1(=O)=O
InChIInChI=1S/C4H4F4O4S2/c1-2-13(9,10)3(5,6)4(7,8)14(2,11)12/h2H,1H3
InChIKeyVUMURFHLRUBYGE-UHFFFAOYSA-N
XLogP0.36
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-tetrafluoro-2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide?
The IUPAC name of 4,4,5,5-tetrafluoro-2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide (CID 15191412) is 4,4,5,5-tetrafluoro-2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide.
What is the SMILES notation for 4,4,5,5-tetrafluoro-2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide?
The canonical SMILES for 4,4,5,5-tetrafluoro-2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide is CC1S(=O)(=O)C(F)(F)C(F)(F)S1(=O)=O.
What is the InChIKey of 4,4,5,5-tetrafluoro-2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide?
The InChIKey is VUMURFHLRUBYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O4S2/c1-2-13(9,10)3(5,6)4(7,8)14(2,11)12/h2H,1H3.
What are the key properties of 4,4,5,5-tetrafluoro-2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide?
4,4,5,5-tetrafluoro-2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide has a molecular weight of 256.20 g/mol, XLogP of 0.36, 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-tetrafluoro-2-methyl-1,3-dithiolane 1,1,3,3-tetraoxide is sourced from PubChem (CID 15191412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).