2,2,4,4-tetrafluoro-1,3-dithiane

C4H4F4S2 — CID 151949177

IUPAC2,2,4,4-tetrafluoro-1,3-dithiane
SMILESFC1(F)CCSC(F)(F)S1
InChIInChI=1S/C4H4F4S2/c5-3(6)1-2-9-4(7,8)10-3/h1-2H2
InChIKeyTWHBQOMVHPRKGJ-UHFFFAOYSA-N
MW192.20 g/mol
LogP3.00
Rot. Bonds

About 2,2,4,4-tetrafluoro-1,3-dithiane

2,2,4,4-tetrafluoro-1,3-dithiane (PubChem CID 151949177) has the molecular formula C4H4F4S2 and a molecular weight of 192.20 g/mol. Its IUPAC name is 2,2,4,4-tetrafluoro-1,3-dithiane.

Molecular Properties

Compound Name2,2,4,4-tetrafluoro-1,3-dithiane
PubChem CID151949177
Molecular FormulaC4H4F4S2
Molecular Weight192.20 g/mol
Exact Mass191.97
IUPAC Name2,2,4,4-tetrafluoro-1,3-dithiane
SMILESFC1(F)CCSC(F)(F)S1
InChIInChI=1S/C4H4F4S2/c5-3(6)1-2-9-4(7,8)10-3/h1-2H2
InChIKeyTWHBQOMVHPRKGJ-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 53.00
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-Tetrafluoroethylidene-[1,3]dithiane
CID 10262826
2-Hexafluoropropylidene-[1,3]dithiane
CID 10400812
2-(2,2,2-Trifluoroethyl)-1,3-dithiane
CID 10512309
2-(Trifluoromethyl)-1,3-dithiane
CID 14319431
2,2-Difluoro-1,3-dithiane
CID 12070546
2-Fluoro-1,3-dithiane
CID 22967169
2-(1,2,2-Trifluoroethylidene)-1,3-dithiane
CID 88379229
4-Fluoro-1,3-dithiane
CID 139914134
1,1,1-Trifluoro-3,3-bis(trifluoromethylsulfanyl)propane
CID 155003510

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetrafluoro-1,3-dithiane?
The IUPAC name of 2,2,4,4-tetrafluoro-1,3-dithiane (CID 151949177) is 2,2,4,4-tetrafluoro-1,3-dithiane.
What is the SMILES notation for 2,2,4,4-tetrafluoro-1,3-dithiane?
The canonical SMILES for 2,2,4,4-tetrafluoro-1,3-dithiane is FC1(F)CCSC(F)(F)S1.
What is the InChIKey of 2,2,4,4-tetrafluoro-1,3-dithiane?
The InChIKey is TWHBQOMVHPRKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4S2/c5-3(6)1-2-9-4(7,8)10-3/h1-2H2.
What are the key properties of 2,2,4,4-tetrafluoro-1,3-dithiane?
2,2,4,4-tetrafluoro-1,3-dithiane has a molecular weight of 192.20 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetrafluoro-1,3-dithiane is sourced from PubChem (CID 151949177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).