2-[bis(2-oxidoethyl)amino]ethanolate;1,1,2,2,3,3,4,4-octafluoro-6-iodohexane;silicon(4+)

C12H24F8INO3Si — CID 3077859

IUPAC2-[bis(2-oxidoethyl)amino]ethanolate;1,1,2,2,3,3,4,4-octafluoro-6-iodohexane;silicon(4+)
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C[CH-]I.[O-]CCN(CC[O-])CC[O-].[SiH8+4]
InChIInChI=1S/C6H4F8I.C6H12NO3.H8Si/c7-3(8)5(11,12)6(13,14)4(9,10)1-2-15;8-4-1-7(2-5-9)3-6-10;/h2-3H,1H2;1-6H2;1H8/q-1;-3;+4
InChIKeyFXHQZDVEHSLQRH-UHFFFAOYSA-N
MW537.30 g/mol
LogP-2.01
Rot. Bonds11

About 2-[bis(2-oxidoethyl)amino]ethanolate;1,1,2,2,3,3,4,4-octafluoro-6-iodohexane;silicon(4+)

2-[bis(2-oxidoethyl)amino]ethanolate;1,1,2,2,3,3,4,4-octafluoro-6-iodohexane;silicon(4+) (PubChem CID 3077859) has the molecular formula C12H24F8INO3Si and a molecular weight of 537.30 g/mol. Its IUPAC name is 2-[bis(2-oxidoethyl)amino]ethanolate;1,1,2,2,3,3,4,4-octafluoro-6-iodohexane;silicon(4+).

Molecular Properties

Compound Name2-[bis(2-oxidoethyl)amino]ethanolate;1,1,2,2,3,3,4,4-octafluoro-6-iodohexane;silicon(4+)
PubChem CID3077859
Molecular FormulaC12H24F8INO3Si
Molecular Weight537.30 g/mol
Exact Mass537.04
IUPAC Name2-[bis(2-oxidoethyl)amino]ethanolate;1,1,2,2,3,3,4,4-octafluoro-6-iodohexane;silicon(4+)
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C[CH-]I.[O-]CCN(CC[O-])CC[O-].[SiH8+4]
InChIInChI=1S/C6H4F8I.C6H12NO3.H8Si/c7-3(8)5(11,12)6(13,14)4(9,10)1-2-15;8-4-1-7(2-5-9)3-6-10;/h2-3H,1H2;1-6H2;1H8/q-1;-3;+4
InChIKeyFXHQZDVEHSLQRH-UHFFFAOYSA-N
XLogP-2.01
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.30
LogP ≤ 5-2.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-[bis(2-oxidoethyl)amino]ethanolate;1,1,2,2,3,3,4,4-octafluoro-6-iodohexane;silicon(4+) with MolForge

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Related Compounds

1,1,2,2,3,3,4,4-octafluoro-5-iodopentane
CID 2775883
2,2,3,3,4,4,5,5-octafluoropentyl hypoiodite
CID 148632122
tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide
CID 22465087
N-(3,3,4,4,5,5,6,6,7,7-decafluoroheptyl)-N,3,3,4,4,5,5,6,6,7,7-undecafluoroheptan-1-amine
CID 172565059
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol
CID 2776291
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane
CID 10816307
N-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine
CID 170096057
2-[2-[bis(2-oxidoethyl)amino]ethyl-(2-oxidoethyl)amino]ethanolate;titanium(4+)
CID 155906116
4,4,5,5,6,6,7,7-octafluoro-2-methylideneheptanoate
CID 23174814
1,1,2,2,3,3,4,4-octafluorodecane
CID 10613179
2-[bis(2-oxidoethyl)amino]ethanolate;molybdenum(4+);hydroxide;hydrate
CID 170843989
1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane
CID 87506465

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-oxidoethyl)amino]ethanolate;1,1,2,2,3,3,4,4-octafluoro-6-iodohexane;silicon(4+)?
The IUPAC name of 2-[bis(2-oxidoethyl)amino]ethanolate;1,1,2,2,3,3,4,4-octafluoro-6-iodohexane;silicon(4+) (CID 3077859) is 2-[bis(2-oxidoethyl)amino]ethanolate;1,1,2,2,3,3,4,4-octafluoro-6-iodohexane;silicon(4+).
What is the SMILES notation for 2-[bis(2-oxidoethyl)amino]ethanolate;1,1,2,2,3,3,4,4-octafluoro-6-iodohexane;silicon(4+)?
The canonical SMILES for 2-[bis(2-oxidoethyl)amino]ethanolate;1,1,2,2,3,3,4,4-octafluoro-6-iodohexane;silicon(4+) is FC(F)C(F)(F)C(F)(F)C(F)(F)C[CH-]I.[O-]CCN(CC[O-])CC[O-].[SiH8+4].
What is the InChIKey of 2-[bis(2-oxidoethyl)amino]ethanolate;1,1,2,2,3,3,4,4-octafluoro-6-iodohexane;silicon(4+)?
The InChIKey is FXHQZDVEHSLQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8I.C6H12NO3.H8Si/c7-3(8)5(11,12)6(13,14)4(9,10)1-2-15;8-4-1-7(2-5-9)3-6-10;/h2-3H,1H2;1-6H2;1H8/q-1;-3;+4.
What are the key properties of 2-[bis(2-oxidoethyl)amino]ethanolate;1,1,2,2,3,3,4,4-octafluoro-6-iodohexane;silicon(4+)?
2-[bis(2-oxidoethyl)amino]ethanolate;1,1,2,2,3,3,4,4-octafluoro-6-iodohexane;silicon(4+) has a molecular weight of 537.30 g/mol, XLogP of -2.01, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-oxidoethyl)amino]ethanolate;1,1,2,2,3,3,4,4-octafluoro-6-iodohexane;silicon(4+) is sourced from PubChem (CID 3077859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).