[2,2,3,3,4,4,5,5,6,10,10,10-dodecafluoro-1-(tetrafluoro-λ6-sulfanylidene)decyl] hypofluorite

C10H7F17OS — CID 88736255

IUPAC[2,2,3,3,4,4,5,5,6,10,10,10-dodecafluoro-1-(tetrafluoro-λ6-sulfanylidene)decyl] hypofluorite
SMILESFOC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CCCC(F)(F)F)=S(F)(F)(F)F
InChIInChI=1S/C10H7F17OS/c11-4(2-1-3-6(12,13)14)7(15,16)9(19,20)10(21,22)8(17,18)5(28-23)29(24,25,26)27/h4H,1-3H2
InChIKeyIWKPSOXGKIFFAC-UHFFFAOYSA-N
MW498.20 g/mol
LogP7.51
Rot. Bonds8

About [2,2,3,3,4,4,5,5,6,10,10,10-dodecafluoro-1-(tetrafluoro-λ6-sulfanylidene)decyl] hypofluorite

[2,2,3,3,4,4,5,5,6,10,10,10-dodecafluoro-1-(tetrafluoro-λ6-sulfanylidene)decyl] hypofluorite (PubChem CID 88736255) has the molecular formula C10H7F17OS and a molecular weight of 498.20 g/mol. Its IUPAC name is [2,2,3,3,4,4,5,5,6,10,10,10-dodecafluoro-1-(tetrafluoro-λ6-sulfanylidene)decyl] hypofluorite.

Molecular Properties

Compound Name[2,2,3,3,4,4,5,5,6,10,10,10-dodecafluoro-1-(tetrafluoro-λ6-sulfanylidene)decyl] hypofluorite
PubChem CID88736255
Molecular FormulaC10H7F17OS
Molecular Weight498.20 g/mol
Exact Mass497.99
IUPAC Name[2,2,3,3,4,4,5,5,6,10,10,10-dodecafluoro-1-(tetrafluoro-λ6-sulfanylidene)decyl] hypofluorite
SMILESFOC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CCCC(F)(F)F)=S(F)(F)(F)F
InChIInChI=1S/C10H7F17OS/c11-4(2-1-3-6(12,13)14)7(15,16)9(19,20)10(21,22)8(17,18)5(28-23)29(24,25,26)27/h4H,1-3H2
InChIKeyIWKPSOXGKIFFAC-UHFFFAOYSA-N
XLogP7.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.20
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2,2,3,3,4,4,5,9,9,9-decafluoro-1-(tetrafluoro-λ6-sulfanylidene)nonyl] hypofluorite
CID 88735724
1,1,2,6,6,6-hexafluorohexane-1-thiol
CID 151631640
N-methylmethanamine;1,1,2,2,3,3,4,4,5,5,6,10,10,10-tetradecafluorodecane-1-sulfonic acid
CID 171922704
CID 166065066
CID 166065066
N-methylmethanamine;1,1,2,2,3,3,4,4,5,5,6,12,12,12-tetradecafluorododecane-1-sulfonic acid
CID 171932052
azane;1,1,2,2,3,3,4,4,5,12,12,12-dodecafluorododecane-1-sulfonic acid
CID 175157494
[1,1,2,3,3,4,4,5,5,6,10,10,10-tridecafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)decyl] dihydrogen phosphate
CID 152762188
lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate
CID 141492467
1,1,2,2,3,3,4,4,5,9,9,9-dodecafluorononane-1-sulfonic acid;prop-2-en-1-amine
CID 175529053
1,1,2,2,3,12,12,12-octafluorododecan-1-amine
CID 175157299
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,12,12,12-octadecafluorododecane-1-sulfonate;tetraethylazanium
CID 141492366
1,1,2,2,3,3,4,4,5,5,6,10,10,10-tetradecafluorodecane-1-sulfonate;tetraethylazanium
CID 141492276

Frequently Asked Questions

What is the IUPAC name of [2,2,3,3,4,4,5,5,6,10,10,10-dodecafluoro-1-(tetrafluoro-λ6-sulfanylidene)decyl] hypofluorite?
The IUPAC name of [2,2,3,3,4,4,5,5,6,10,10,10-dodecafluoro-1-(tetrafluoro-λ6-sulfanylidene)decyl] hypofluorite (CID 88736255) is [2,2,3,3,4,4,5,5,6,10,10,10-dodecafluoro-1-(tetrafluoro-λ6-sulfanylidene)decyl] hypofluorite.
What is the SMILES notation for [2,2,3,3,4,4,5,5,6,10,10,10-dodecafluoro-1-(tetrafluoro-λ6-sulfanylidene)decyl] hypofluorite?
The canonical SMILES for [2,2,3,3,4,4,5,5,6,10,10,10-dodecafluoro-1-(tetrafluoro-λ6-sulfanylidene)decyl] hypofluorite is FOC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CCCC(F)(F)F)=S(F)(F)(F)F.
What is the InChIKey of [2,2,3,3,4,4,5,5,6,10,10,10-dodecafluoro-1-(tetrafluoro-λ6-sulfanylidene)decyl] hypofluorite?
The InChIKey is IWKPSOXGKIFFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F17OS/c11-4(2-1-3-6(12,13)14)7(15,16)9(19,20)10(21,22)8(17,18)5(28-23)29(24,25,26)27/h4H,1-3H2.
What are the key properties of [2,2,3,3,4,4,5,5,6,10,10,10-dodecafluoro-1-(tetrafluoro-λ6-sulfanylidene)decyl] hypofluorite?
[2,2,3,3,4,4,5,5,6,10,10,10-dodecafluoro-1-(tetrafluoro-λ6-sulfanylidene)decyl] hypofluorite has a molecular weight of 498.20 g/mol, XLogP of 7.51, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,3,3,4,4,5,5,6,10,10,10-dodecafluoro-1-(tetrafluoro-λ6-sulfanylidene)decyl] hypofluorite is sourced from PubChem (CID 88736255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).