2-(1,2,2,3,3,3-hexafluoropropylidene)-1,3-dithiane

C7H6F6S2 — CID 10400812

IUPAC2-(1,2,2,3,3,3-hexafluoropropylidene)-1,3-dithiane
SMILESFC(=C1SCCCS1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F6S2/c8-4(5-14-2-1-3-15-5)6(9,10)7(11,12)13/h1-3H2
InChIKeyILNYQEHGFBIDAQ-UHFFFAOYSA-N
MW268.25 g/mol
LogP4.19
Rot. Bonds1

About 2-(1,2,2,3,3,3-hexafluoropropylidene)-1,3-dithiane

2-(1,2,2,3,3,3-hexafluoropropylidene)-1,3-dithiane (PubChem CID 10400812) has the molecular formula C7H6F6S2 and a molecular weight of 268.25 g/mol. Its IUPAC name is 2-(1,2,2,3,3,3-hexafluoropropylidene)-1,3-dithiane.

Molecular Properties

Compound Name2-(1,2,2,3,3,3-hexafluoropropylidene)-1,3-dithiane
PubChem CID10400812
Molecular FormulaC7H6F6S2
Molecular Weight268.25 g/mol
Exact Mass267.98
IUPAC Name2-(1,2,2,3,3,3-hexafluoropropylidene)-1,3-dithiane
SMILESFC(=C1SCCCS1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F6S2/c8-4(5-14-2-1-3-15-5)6(9,10)7(11,12)13/h1-3H2
InChIKeyILNYQEHGFBIDAQ-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 54.19
H-Bond Donors ≤ 50
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 2-(1,2,2,3,3,3-hexafluoropropylidene)-1,3-dithiane?
The IUPAC name of 2-(1,2,2,3,3,3-hexafluoropropylidene)-1,3-dithiane (CID 10400812) is 2-(1,2,2,3,3,3-hexafluoropropylidene)-1,3-dithiane.
What is the SMILES notation for 2-(1,2,2,3,3,3-hexafluoropropylidene)-1,3-dithiane?
The canonical SMILES for 2-(1,2,2,3,3,3-hexafluoropropylidene)-1,3-dithiane is FC(=C1SCCCS1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,2,2,3,3,3-hexafluoropropylidene)-1,3-dithiane?
The InChIKey is ILNYQEHGFBIDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6S2/c8-4(5-14-2-1-3-15-5)6(9,10)7(11,12)13/h1-3H2.
What are the key properties of 2-(1,2,2,3,3,3-hexafluoropropylidene)-1,3-dithiane?
2-(1,2,2,3,3,3-hexafluoropropylidene)-1,3-dithiane has a molecular weight of 268.25 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,3,3,3-hexafluoropropylidene)-1,3-dithiane is sourced from PubChem (CID 10400812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).