hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane

C4F14S — CID 174484392

IUPAChexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane
SMILESFC1(F)C(F)(F)C(F)(F)C1(F)F.FS(F)(F)(F)(F)F
InChIInChI=1S/C4F8.F6S/c5-1(6)2(7,8)4(11,12)3(1,9)10;1-7(2,3,4,5)6
InChIKeyADDOBTQLUZHPQH-UHFFFAOYSA-N
MW346.08 g/mol
LogP5.71
Rot. Bonds

About hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane

hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane (PubChem CID 174484392) has the molecular formula C4F14S and a molecular weight of 346.08 g/mol. Its IUPAC name is hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane.

Molecular Properties

Compound Namehexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane
PubChem CID174484392
Molecular FormulaC4F14S
Molecular Weight346.08 g/mol
Exact Mass345.95
IUPAC Namehexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane
SMILESFC1(F)C(F)(F)C(F)(F)C1(F)F.FS(F)(F)(F)(F)F
InChIInChI=1S/C4F8.F6S/c5-1(6)2(7,8)4(11,12)3(1,9)10;1-7(2,3,4,5)6
InChIKeyADDOBTQLUZHPQH-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.08
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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
CID 161034792
1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane
CID 139815776
hexafluoro-λ6-sulfane;sulfane
CID 159768871
1-chloro-1,2,2,3,3-pentafluorocyclopropane
CID 23233207
1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-dimethylcyclohexane
CID 22593150
1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-thiol
CID 87424981
1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptyl)oxycycloheptane
CID 141298295
1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane
CID 175593131
3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide
CID 54080609
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,2,2-tetrafluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethyl]cyclohexane
CID 138394265
1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane
CID 10247271

Frequently Asked Questions

What is the IUPAC name of hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane?
The IUPAC name of hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane (CID 174484392) is hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane.
What is the SMILES notation for hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane?
The canonical SMILES for hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane is FC1(F)C(F)(F)C(F)(F)C1(F)F.FS(F)(F)(F)(F)F.
What is the InChIKey of hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane?
The InChIKey is ADDOBTQLUZHPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F8.F6S/c5-1(6)2(7,8)4(11,12)3(1,9)10;1-7(2,3,4,5)6.
What are the key properties of hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane?
hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane has a molecular weight of 346.08 g/mol, XLogP of 5.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane is sourced from PubChem (CID 174484392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).