1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;tetraphenylarsanium

C28H20AsF9O2S — CID 171039438

IUPAC1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;tetraphenylarsanium
SMILESO=S([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc([As+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20As.C4HF9O2S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;5-1(6,3(9,10)11)2(7,8)4(12,13)16(14)15/h1-20H;(H,14,15)/q+1;/p-1
InChIKeyJVMIVRONIVOWMP-UHFFFAOYSA-M
MW666.44 g/mol
LogP5.36
Rot. Bonds7

About 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;tetraphenylarsanium

1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;tetraphenylarsanium (PubChem CID 171039438) has the molecular formula C28H20AsF9O2S and a molecular weight of 666.44 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;tetraphenylarsanium.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;tetraphenylarsanium
PubChem CID171039438
Molecular FormulaC28H20AsF9O2S
Molecular Weight666.44 g/mol
Exact Mass666.03
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;tetraphenylarsanium
SMILESO=S([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc([As+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20As.C4HF9O2S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;5-1(6,3(9,10)11)2(7,8)4(12,13)16(14)15/h1-20H;(H,14,15)/q+1;/p-1
InChIKeyJVMIVRONIVOWMP-UHFFFAOYSA-M
XLogP5.36
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.44
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

zinc bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfinate)
CID 135315333
lithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate
CID 174871743
2-bromo-1,1,2,2-tetrafluoroethanesulfinate
CID 91807241
hexafluoroarsenic(1-);tetraphenylarsanium
CID 14223279
bis(2,2,3,3,4,4,5,5,5-nonafluoropentanoate);bis(triphenylsulfanium)
CID 175756801
potassium;hydride;1,1,2,2,2-pentafluoroethanesulfinate
CID 174997119
1,1,2,2,3,3,4,4,4-nonafluorobutyl-dioxido-oxo-phenyl-λ6-sulfane
CID 154509780
(1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene
CID 139761767
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoate;triphenylsulfanium
CID 22345006
naphthalen-1-yl(diphenyl)sulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 22044371
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;naphthalen-1-yl(diphenyl)sulfanium
CID 23133215
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfinic acid
CID 20977184

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;tetraphenylarsanium?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;tetraphenylarsanium (CID 171039438) is 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;tetraphenylarsanium.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;tetraphenylarsanium?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;tetraphenylarsanium is O=S([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc([As+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;tetraphenylarsanium?
The InChIKey is JVMIVRONIVOWMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H20As.C4HF9O2S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;5-1(6,3(9,10)11)2(7,8)4(12,13)16(14)15/h1-20H;(H,14,15)/q+1;/p-1.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;tetraphenylarsanium?
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;tetraphenylarsanium has a molecular weight of 666.44 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;tetraphenylarsanium is sourced from PubChem (CID 171039438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).