2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide

C4F6O2S — CID 89312231

IUPAC2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide
SMILESO=S1(=O)C(F)(F)C(F)=C(F)C1(F)F
InChIInChI=1S/C4F6O2S/c5-1-2(6)4(9,10)13(11,12)3(1,7)8
InChIKeyXTPOKYTYRGFOBP-UHFFFAOYSA-N
MW226.10 g/mol
LogP1.75
Rot. Bonds

About 2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide

2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide (PubChem CID 89312231) has the molecular formula C4F6O2S and a molecular weight of 226.10 g/mol. Its IUPAC name is 2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide.

Molecular Properties

Compound Name2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide
PubChem CID89312231
Molecular FormulaC4F6O2S
Molecular Weight226.10 g/mol
Exact Mass225.95
IUPAC Name2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide
SMILESO=S1(=O)C(F)(F)C(F)=C(F)C1(F)F
InChIInChI=1S/C4F6O2S/c5-1-2(6)4(9,10)13(11,12)3(1,7)8
InChIKeyXTPOKYTYRGFOBP-UHFFFAOYSA-N
XLogP1.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.10
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,3,4,5,6,6-octafluorocyclohexa-1,4-diene
CID 12697770
(1Z,5Z)-1,2,3,3,4,4,5,6,7,7,8,8-dodecafluorocycloocta-1,5-diene;platinum
CID 87582607
lithium 4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide
CID 14123337
3,4,4-trifluoro-2-hydroxy-1-oxa-2λ6-thiacyclobut-2-ene 2-oxide
CID 123700396
1,2,3,3,4,4,5,5-octafluorocyclopentene
CID 11212
2,2,4,4-tetramethyl-3-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-ylidene)thietane 1,1-dioxide
CID 13396195
1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene
CID 15573718
(1Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluorocyclodecene
CID 139346859
3,3-difluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-one
CID 58781637
2,2,3,3,5,5-hexafluorothiolane 1,1-dioxide
CID 87128473
2-chloro-2,4,4-trifluoro-1,3-dithietane 1,1-dioxide
CID 14115367
2,2,4,4,5,5-hexafluoro-1,3-oxathiolane 3,3-dioxide
CID 23234533

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide?
The IUPAC name of 2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide (CID 89312231) is 2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide.
What is the SMILES notation for 2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide?
The canonical SMILES for 2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide is O=S1(=O)C(F)(F)C(F)=C(F)C1(F)F.
What is the InChIKey of 2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide?
The InChIKey is XTPOKYTYRGFOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F6O2S/c5-1-2(6)4(9,10)13(11,12)3(1,7)8.
What are the key properties of 2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide?
2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide has a molecular weight of 226.10 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide is sourced from PubChem (CID 89312231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).