2,2,3,3,4,4-hexafluorothietane

C3F6S — CID 567761

IUPAC2,2,3,3,4,4-hexafluorothietane
SMILESFC1(F)SC(F)(F)C1(F)F
InChIInChI=1S/C3F6S/c4-1(5)2(6,7)10-3(1,8)9
InChIKeyFKYDOQLHWKVIKP-UHFFFAOYSA-N
MW182.09 g/mol
LogP2.55
Rot. Bonds

About 2,2,3,3,4,4-hexafluorothietane

2,2,3,3,4,4-hexafluorothietane (PubChem CID 567761) has the molecular formula C3F6S and a molecular weight of 182.09 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluorothietane.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluorothietane
PubChem CID567761
Molecular FormulaC3F6S
Molecular Weight182.09 g/mol
Exact Mass181.96
IUPAC Name2,2,3,3,4,4-hexafluorothietane
SMILESFC1(F)SC(F)(F)C1(F)F
InChIInChI=1S/C3F6S/c4-1(5)2(6,7)10-3(1,8)9
InChIKeyFKYDOQLHWKVIKP-UHFFFAOYSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.09
LogP ≤ 52.55
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-octafluorothiolane
CID 12705729
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
1,1-difluoro-2,2,3,3-tetramethylcyclopropane
CID 576606
1,1,2,2,3,4,4,5-octafluoro-3,5-dimethylcyclopentane
CID 89333717
1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-dimethylcyclohexane
CID 22593150
1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane
CID 68649915
2,2,5,5-tetrafluorothiophene
CID 12916665
2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane
CID 22497786
4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane
CID 144730530
1,2,2,3,4,4,5,6,6,7,8,8,9,9-tetradecafluoro-10,10-dimethyladamantane
CID 87665387
hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane
CID 174484392
1-chloro-1,2,2,3,3-pentafluorocyclopropane
CID 23233207

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexafluorothietane?
The IUPAC name of 2,2,3,3,4,4-hexafluorothietane (CID 567761) is 2,2,3,3,4,4-hexafluorothietane.
What is the SMILES notation for 2,2,3,3,4,4-hexafluorothietane?
The canonical SMILES for 2,2,3,3,4,4-hexafluorothietane is FC1(F)SC(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4-hexafluorothietane?
The InChIKey is FKYDOQLHWKVIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F6S/c4-1(5)2(6,7)10-3(1,8)9.
What are the key properties of 2,2,3,3,4,4-hexafluorothietane?
2,2,3,3,4,4-hexafluorothietane has a molecular weight of 182.09 g/mol, XLogP of 2.55, 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-hexafluorothietane is sourced from PubChem (CID 567761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).