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

C6H6F4S2 — CID 10262826

IUPAC2-(1,2,2,2-tetrafluoroethylidene)-1,3-dithiane
SMILESFC(=C1SCCCS1)C(F)(F)F
InChIInChI=1S/C6H6F4S2/c7-4(6(8,9)10)5-11-2-1-3-12-5/h1-3H2
InChIKeyIGMXLTMGXDWWDZ-UHFFFAOYSA-N
MW218.24 g/mol
LogP3.56
Rot. Bonds

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

2-(1,2,2,2-tetrafluoroethylidene)-1,3-dithiane (PubChem CID 10262826) has the molecular formula C6H6F4S2 and a molecular weight of 218.24 g/mol. Its IUPAC name is 2-(1,2,2,2-tetrafluoroethylidene)-1,3-dithiane.

Molecular Properties

Compound Name2-(1,2,2,2-tetrafluoroethylidene)-1,3-dithiane
PubChem CID10262826
Molecular FormulaC6H6F4S2
Molecular Weight218.24 g/mol
Exact Mass217.98
IUPAC Name2-(1,2,2,2-tetrafluoroethylidene)-1,3-dithiane
SMILESFC(=C1SCCCS1)C(F)(F)F
InChIInChI=1S/C6H6F4S2/c7-4(6(8,9)10)5-11-2-1-3-12-5/h1-3H2
InChIKeyIGMXLTMGXDWWDZ-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Pentafluoroethyl-[1,3]dithiane
CID 10014420
2-Heptafluoropropyl-[1,3]dithiane
CID 10356744
2-(2,2,2-Trifluoroethylidene)-1,3-dithiane
CID 10932472
2-Hexafluoropropylidene-[1,3]dithiane
CID 10400812
2-(Trifluoromethyl)-1,3-dithiane
CID 14319431
2,2-Difluoro-1,3-dithiane
CID 12070546
2-(1,2,2-Trifluoroethylidene)-1,3-dithiane
CID 88379229
2,2,4,4-Tetrafluoro-1,3-dithiane
CID 151949177

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2,2-tetrafluoroethylidene)-1,3-dithiane?
The IUPAC name of 2-(1,2,2,2-tetrafluoroethylidene)-1,3-dithiane (CID 10262826) is 2-(1,2,2,2-tetrafluoroethylidene)-1,3-dithiane.
What is the SMILES notation for 2-(1,2,2,2-tetrafluoroethylidene)-1,3-dithiane?
The canonical SMILES for 2-(1,2,2,2-tetrafluoroethylidene)-1,3-dithiane is FC(=C1SCCCS1)C(F)(F)F.
What is the InChIKey of 2-(1,2,2,2-tetrafluoroethylidene)-1,3-dithiane?
The InChIKey is IGMXLTMGXDWWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4S2/c7-4(6(8,9)10)5-11-2-1-3-12-5/h1-3H2.
What are the key properties of 2-(1,2,2,2-tetrafluoroethylidene)-1,3-dithiane?
2-(1,2,2,2-tetrafluoroethylidene)-1,3-dithiane has a molecular weight of 218.24 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,2-tetrafluoroethylidene)-1,3-dithiane is sourced from PubChem (CID 10262826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).