2,2-difluoro-1,3-dithiane

C4H6F2S2 — CID 12070546

IUPAC2,2-difluoro-1,3-dithiane
SMILESFC1(F)SCCCS1
InChIInChI=1S/C4H6F2S2/c5-4(6)7-2-1-3-8-4/h1-3H2
InChIKeySXVGIBCAOZBBIV-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.41
Rot. Bonds

About 2,2-difluoro-1,3-dithiane

2,2-difluoro-1,3-dithiane (PubChem CID 12070546) has the molecular formula C4H6F2S2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2,2-difluoro-1,3-dithiane.

Molecular Properties

Compound Name2,2-difluoro-1,3-dithiane
PubChem CID12070546
Molecular FormulaC4H6F2S2
Molecular Weight156.22 g/mol
Exact Mass155.99
IUPAC Name2,2-difluoro-1,3-dithiane
SMILESFC1(F)SCCCS1
InChIInChI=1S/C4H6F2S2/c5-4(6)7-2-1-3-8-4/h1-3H2
InChIKeySXVGIBCAOZBBIV-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.41
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-Tetrafluoroethylidene-[1,3]dithiane
CID 10262826
2-(2,2,2-Trifluoroethyl)-1,3-dithiane
CID 10512309
2-(Trifluoromethyl)-1,3-dithiane
CID 14319431
2-Fluoro-1,3-dithiane
CID 22967169
2,2-Difluoro-5-methyl-1,3-dithiane
CID 59876013
2-(1,2,2-Trifluoroethylidene)-1,3-dithiane
CID 88379229
4-Fluoro-1,3-dithiane
CID 139914134
2,2,4,4-Tetrafluoro-1,3-dithiane
CID 151949177

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1,3-dithiane?
The IUPAC name of 2,2-difluoro-1,3-dithiane (CID 12070546) is 2,2-difluoro-1,3-dithiane.
What is the SMILES notation for 2,2-difluoro-1,3-dithiane?
The canonical SMILES for 2,2-difluoro-1,3-dithiane is FC1(F)SCCCS1.
What is the InChIKey of 2,2-difluoro-1,3-dithiane?
The InChIKey is SXVGIBCAOZBBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2S2/c5-4(6)7-2-1-3-8-4/h1-3H2.
What are the key properties of 2,2-difluoro-1,3-dithiane?
2,2-difluoro-1,3-dithiane has a molecular weight of 156.22 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,3-dithiane is sourced from PubChem (CID 12070546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).