1,1,2,2,3,3,4,4,4-nonafluorobutyl(diphenyl)-λ3-iodane

C16H10F9I — CID 151399334

IUPAC1,1,2,2,3,3,4,4,4-nonafluorobutyl(diphenyl)-λ3-iodane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)I(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H10F9I/c17-13(18,15(21,22)23)14(19,20)16(24,25)26(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyOWDIXXRGTGBTCM-UHFFFAOYSA-N
MW500.14 g/mol
LogP6.66
Rot. Bonds5

About 1,1,2,2,3,3,4,4,4-nonafluorobutyl(diphenyl)-λ3-iodane

1,1,2,2,3,3,4,4,4-nonafluorobutyl(diphenyl)-λ3-iodane (PubChem CID 151399334) has the molecular formula C16H10F9I and a molecular weight of 500.14 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluorobutyl(diphenyl)-λ3-iodane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluorobutyl(diphenyl)-λ3-iodane
PubChem CID151399334
Molecular FormulaC16H10F9I
Molecular Weight500.14 g/mol
Exact Mass499.97
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluorobutyl(diphenyl)-λ3-iodane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)I(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H10F9I/c17-13(18,15(21,22)23)14(19,20)16(24,25)26(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyOWDIXXRGTGBTCM-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.14
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutyl(diphenyl)-λ3-iodane?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutyl(diphenyl)-λ3-iodane (CID 151399334) is 1,1,2,2,3,3,4,4,4-nonafluorobutyl(diphenyl)-λ3-iodane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluorobutyl(diphenyl)-λ3-iodane?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluorobutyl(diphenyl)-λ3-iodane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)I(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluorobutyl(diphenyl)-λ3-iodane?
The InChIKey is OWDIXXRGTGBTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F9I/c17-13(18,15(21,22)23)14(19,20)16(24,25)26(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluorobutyl(diphenyl)-λ3-iodane?
1,1,2,2,3,3,4,4,4-nonafluorobutyl(diphenyl)-λ3-iodane has a molecular weight of 500.14 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluorobutyl(diphenyl)-λ3-iodane is sourced from PubChem (CID 151399334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).