[2,2,3,3,4,4,5,9,9,9-decafluoro-1-(tetrafluoro-λ6-sulfanylidene)nonyl] hypofluorite

C9H7F15OS — CID 88735724

IUPAC[2,2,3,3,4,4,5,9,9,9-decafluoro-1-(tetrafluoro-λ6-sulfanylidene)nonyl] hypofluorite
SMILESFOC(C(F)(F)C(F)(F)C(F)(F)C(F)CCCC(F)(F)F)=S(F)(F)(F)F
InChIInChI=1S/C9H7F15OS/c10-4(2-1-3-6(11,12)13)7(14,15)9(18,19)8(16,17)5(25-20)26(21,22,23)24/h4H,1-3H2
InChIKeyWYWCKQXGIHTCNW-UHFFFAOYSA-N
MW448.19 g/mol
LogP6.87
Rot. Bonds7

About [2,2,3,3,4,4,5,9,9,9-decafluoro-1-(tetrafluoro-λ6-sulfanylidene)nonyl] hypofluorite

[2,2,3,3,4,4,5,9,9,9-decafluoro-1-(tetrafluoro-λ6-sulfanylidene)nonyl] hypofluorite (PubChem CID 88735724) has the molecular formula C9H7F15OS and a molecular weight of 448.19 g/mol. Its IUPAC name is [2,2,3,3,4,4,5,9,9,9-decafluoro-1-(tetrafluoro-λ6-sulfanylidene)nonyl] hypofluorite.

Molecular Properties

Compound Name[2,2,3,3,4,4,5,9,9,9-decafluoro-1-(tetrafluoro-λ6-sulfanylidene)nonyl] hypofluorite
PubChem CID88735724
Molecular FormulaC9H7F15OS
Molecular Weight448.19 g/mol
Exact Mass448.00
IUPAC Name[2,2,3,3,4,4,5,9,9,9-decafluoro-1-(tetrafluoro-λ6-sulfanylidene)nonyl] hypofluorite
SMILESFOC(C(F)(F)C(F)(F)C(F)(F)C(F)CCCC(F)(F)F)=S(F)(F)(F)F
InChIInChI=1S/C9H7F15OS/c10-4(2-1-3-6(11,12)13)7(14,15)9(18,19)8(16,17)5(25-20)26(21,22,23)24/h4H,1-3H2
InChIKeyWYWCKQXGIHTCNW-UHFFFAOYSA-N
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.19
LogP ≤ 56.87
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

[2,2,3,3,4,4,5,5,6,10,10,10-dodecafluoro-1-(tetrafluoro-λ6-sulfanylidene)decyl] hypofluorite
CID 88736255
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
1,1,2,2,3,12,12,12-octafluorododecan-1-amine
CID 175157299
1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate
CID 139676594
N-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid
CID 171922879
N-methylmethanamine;1,1,2,2,3,12,12,12-octafluorododecane-1-sulfonic acid
CID 171922644
lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate
CID 141492467

Frequently Asked Questions

What is the IUPAC name of [2,2,3,3,4,4,5,9,9,9-decafluoro-1-(tetrafluoro-λ6-sulfanylidene)nonyl] hypofluorite?
The IUPAC name of [2,2,3,3,4,4,5,9,9,9-decafluoro-1-(tetrafluoro-λ6-sulfanylidene)nonyl] hypofluorite (CID 88735724) is [2,2,3,3,4,4,5,9,9,9-decafluoro-1-(tetrafluoro-λ6-sulfanylidene)nonyl] hypofluorite.
What is the SMILES notation for [2,2,3,3,4,4,5,9,9,9-decafluoro-1-(tetrafluoro-λ6-sulfanylidene)nonyl] hypofluorite?
The canonical SMILES for [2,2,3,3,4,4,5,9,9,9-decafluoro-1-(tetrafluoro-λ6-sulfanylidene)nonyl] hypofluorite is FOC(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 [2,2,3,3,4,4,5,9,9,9-decafluoro-1-(tetrafluoro-λ6-sulfanylidene)nonyl] hypofluorite?
The InChIKey is WYWCKQXGIHTCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F15OS/c10-4(2-1-3-6(11,12)13)7(14,15)9(18,19)8(16,17)5(25-20)26(21,22,23)24/h4H,1-3H2.
What are the key properties of [2,2,3,3,4,4,5,9,9,9-decafluoro-1-(tetrafluoro-λ6-sulfanylidene)nonyl] hypofluorite?
[2,2,3,3,4,4,5,9,9,9-decafluoro-1-(tetrafluoro-λ6-sulfanylidene)nonyl] hypofluorite has a molecular weight of 448.19 g/mol, XLogP of 6.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,3,3,4,4,5,9,9,9-decafluoro-1-(tetrafluoro-λ6-sulfanylidene)nonyl] hypofluorite is sourced from PubChem (CID 88735724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).