2,2,3,3,4,4,5,5-octafluorothiolane 1-oxide

C4F8OS — CID 87925499

IUPAC2,2,3,3,4,4,5,5-octafluorothiolane 1-oxide
SMILESO=S1C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C4F8OS/c5-1(6)2(7,8)4(11,12)14(13)3(1,9)10
InChIKeyNJPCOHMYRIIJDU-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.20
Rot. Bonds

About 2,2,3,3,4,4,5,5-octafluorothiolane 1-oxide

2,2,3,3,4,4,5,5-octafluorothiolane 1-oxide (PubChem CID 87925499) has the molecular formula C4F8OS and a molecular weight of 248.09 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluorothiolane 1-oxide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluorothiolane 1-oxide
PubChem CID87925499
Molecular FormulaC4F8OS
Molecular Weight248.09 g/mol
Exact Mass247.95
IUPAC Name2,2,3,3,4,4,5,5-octafluorothiolane 1-oxide
SMILESO=S1C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C4F8OS/c5-1(6)2(7,8)4(11,12)14(13)3(1,9)10
InChIKeyNJPCOHMYRIIJDU-UHFFFAOYSA-N
XLogP2.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorothiocane 1-oxide
CID 87925261
4,4,5,5,6,6,7,7-octafluoro-1λ4,3λ4-dithia-2-azanidacycloheptane 1,3-dioxide
CID 59637732
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-triacontafluorocyclopentadecane
CID 162355786
hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane
CID 174484392
1-chloro-1,2,2,3,3-pentafluorocyclopropane
CID 23233207
1,1-difluoro-2,2,3,3-tetramethylcyclopropane
CID 576606
(1S,3S,5S,6S)-1,2,2,3,4,4,5,6,7,7-decafluorotricyclo[3.2.0.03,6]heptane
CID 10446006
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)sulfonylcyclohexane
CID 87156298
1,1,2,2,3,3,4,4,5-nonafluoro-5-nitrosocyclopentane
CID 13383161
2,2-dichloro-3,3,4,4,5,5,6-heptafluoropyridine
CID 162536645
methyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfate
CID 87154403
3,3,4,4,5,5-hexafluoropiperidine-2,6-dione
CID 12681002

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluorothiolane 1-oxide?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluorothiolane 1-oxide (CID 87925499) is 2,2,3,3,4,4,5,5-octafluorothiolane 1-oxide.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluorothiolane 1-oxide?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluorothiolane 1-oxide is O=S1C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluorothiolane 1-oxide?
The InChIKey is NJPCOHMYRIIJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F8OS/c5-1(6)2(7,8)4(11,12)14(13)3(1,9)10.
What are the key properties of 2,2,3,3,4,4,5,5-octafluorothiolane 1-oxide?
2,2,3,3,4,4,5,5-octafluorothiolane 1-oxide has a molecular weight of 248.09 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluorothiolane 1-oxide is sourced from PubChem (CID 87925499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).