2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorothiocane 1-oxide

C7F14OS — CID 87925261

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorothiocane 1-oxide
SMILESO=S1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7F14OS/c8-1(9)2(10,11)4(14,15)6(18,19)23(22)7(20,21)5(16,17)3(1,12)13
InChIKeyJAWCSQVFGLWKQY-UHFFFAOYSA-N
MW398.12 g/mol
LogP4.11
Rot. Bonds

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorothiocane 1-oxide

2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorothiocane 1-oxide (PubChem CID 87925261) has the molecular formula C7F14OS and a molecular weight of 398.12 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorothiocane 1-oxide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorothiocane 1-oxide
PubChem CID87925261
Molecular FormulaC7F14OS
Molecular Weight398.12 g/mol
Exact Mass397.94
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorothiocane 1-oxide
SMILESO=S1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7F14OS/c8-1(9)2(10,11)4(14,15)6(18,19)23(22)7(20,21)5(16,17)3(1,12)13
InChIKeyJAWCSQVFGLWKQY-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.12
LogP ≤ 54.11
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 1-oxide
CID 87925499
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
1,1,2,2,3,3,4,4,5,5,6-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
2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride
CID 88638074
1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane
CID 139815776
1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-thiol
CID 87424981
1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-dimethylcyclohexane
CID 22593150
methyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfate
CID 87154403
1,2,2,3,3,4,4,5,5-nonafluorocyclopentane-1-carbonyl chloride
CID 141293641

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorothiocane 1-oxide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorothiocane 1-oxide (CID 87925261) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorothiocane 1-oxide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorothiocane 1-oxide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorothiocane 1-oxide is O=S1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorothiocane 1-oxide?
The InChIKey is JAWCSQVFGLWKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F14OS/c8-1(9)2(10,11)4(14,15)6(18,19)23(22)7(20,21)5(16,17)3(1,12)13.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorothiocane 1-oxide?
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorothiocane 1-oxide has a molecular weight of 398.12 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorothiocane 1-oxide is sourced from PubChem (CID 87925261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).