[bis(furan-2-yl)-lambda3-iodanyl] trifluoromethanesulfonate

C9H6F3IO5S — CID 15738845

IUPAC[bis(furan-2-yl)-lambda3-iodanyl] trifluoromethanesulfonate
SMILESO=S(=O)(OI(c1ccco1)c1ccco1)C(F)(F)F
InChIInChI=1S/C9H6F3IO5S/c10-9(11,12)19(14,15)18-13(7-3-1-5-16-7)8-4-2-6-17-8/h1-6H
InChIKeyCQPGDNFQUNOXNT-UHFFFAOYSA-N
MW410.11 g/mol
LogP3.20
Rot. Bonds4

About [bis(furan-2-yl)-lambda3-iodanyl] trifluoromethanesulfonate

[bis(furan-2-yl)-lambda3-iodanyl] trifluoromethanesulfonate (PubChem CID 15738845) has the molecular formula C9H6F3IO5S and a molecular weight of 410.11 g/mol. Its IUPAC name is [bis(furan-2-yl)-lambda3-iodanyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[bis(furan-2-yl)-lambda3-iodanyl] trifluoromethanesulfonate
PubChem CID15738845
Molecular FormulaC9H6F3IO5S
Molecular Weight410.11 g/mol
Exact Mass409.89
IUPAC Name[bis(furan-2-yl)-lambda3-iodanyl] trifluoromethanesulfonate
SMILESO=S(=O)(OI(c1ccco1)c1ccco1)C(F)(F)F
InChIInChI=1S/C9H6F3IO5S/c10-9(11,12)19(14,15)18-13(7-3-1-5-16-7)8-4-2-6-17-8/h1-6H
InChIKeyCQPGDNFQUNOXNT-UHFFFAOYSA-N
XLogP3.20
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.11
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

Bis(furan-2-yl)iodanium;trifluoromethanesulfonate
CID 176442546
Furan;hydron;trifluoromethanesulfonic acid
CID 174441054
Chloro-bis(furan-2-yl)-lambda3-iodane
CID 12356533
Di(3-furyl)iodonium chloride
CID 12356534
Bis(furan-2-yl)iodanium chloride
CID 85833696
Gold(1+);trifluoromethanesulfonate;tris(furan-2-yl)phosphane
CID 66572930
Bis(furan-2-yl)iodanium
CID 21781027
Bis(furan-3-yl)iodanium
CID 21854334
Furan;sulfuric acid
CID 174417232
[Bis(furan-3-yl)-lambda3-iodanyl] methyl sulfate
CID 176653925

Frequently Asked Questions

What is the IUPAC name of [bis(furan-2-yl)-lambda3-iodanyl] trifluoromethanesulfonate?
The IUPAC name of [bis(furan-2-yl)-lambda3-iodanyl] trifluoromethanesulfonate (CID 15738845) is [bis(furan-2-yl)-lambda3-iodanyl] trifluoromethanesulfonate.
What is the SMILES notation for [bis(furan-2-yl)-lambda3-iodanyl] trifluoromethanesulfonate?
The canonical SMILES for [bis(furan-2-yl)-lambda3-iodanyl] trifluoromethanesulfonate is O=S(=O)(OI(c1ccco1)c1ccco1)C(F)(F)F.
What is the InChIKey of [bis(furan-2-yl)-lambda3-iodanyl] trifluoromethanesulfonate?
The InChIKey is CQPGDNFQUNOXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3IO5S/c10-9(11,12)19(14,15)18-13(7-3-1-5-16-7)8-4-2-6-17-8/h1-6H.
What are the key properties of [bis(furan-2-yl)-lambda3-iodanyl] trifluoromethanesulfonate?
[bis(furan-2-yl)-lambda3-iodanyl] trifluoromethanesulfonate has a molecular weight of 410.11 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(furan-2-yl)-lambda3-iodanyl] trifluoromethanesulfonate is sourced from PubChem (CID 15738845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).