1,1,2,2,3,3,3-heptafluoropropyl(phenyl)iodanium

C9H5F7I+ — CID 2760328

IUPAC1,1,2,2,3,3,3-heptafluoropropyl(phenyl)iodanium
SMILESFC(F)(F)C(F)(F)C(F)(F)[I+]c1ccccc1
InChIInChI=1S/C9H5F7I/c10-7(11,8(12,13)14)9(15,16)17-6-4-2-1-3-5-6/h1-5H/q+1
InChIKeyRKQPNRUABHNCIX-UHFFFAOYSA-N
MW373.03 g/mol
LogP0.74
Rot. Bonds3

About 1,1,2,2,3,3,3-heptafluoropropyl(phenyl)iodanium

1,1,2,2,3,3,3-heptafluoropropyl(phenyl)iodanium (PubChem CID 2760328) has the molecular formula C9H5F7I+ and a molecular weight of 373.03 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoropropyl(phenyl)iodanium.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoropropyl(phenyl)iodanium
PubChem CID2760328
Molecular FormulaC9H5F7I+
Molecular Weight373.03 g/mol
Exact Mass372.93
IUPAC Name1,1,2,2,3,3,3-heptafluoropropyl(phenyl)iodanium
SMILESFC(F)(F)C(F)(F)C(F)(F)[I+]c1ccccc1
InChIInChI=1S/C9H5F7I/c10-7(11,8(12,13)14)9(15,16)17-6-4-2-1-3-5-6/h1-5H/q+1
InChIKeyRKQPNRUABHNCIX-UHFFFAOYSA-N
XLogP0.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.03
LogP ≤ 50.74
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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Related Compounds

Iodobenzene
CID 11575
1,3-Difluorobenzene
CID 9741
Iodosylbenzene
CID 92125
1,4-Difluorobenzene
CID 10892
4-Fluoroiodobenzene
CID 9605
1-Fluoro-3-iodobenzene
CID 70725
1,2-Diiodobenzene
CID 11994
p-Diiodobenzene
CID 12208
1,2-Difluorobenzene
CID 9706
Iodonium, diphenyl-, hexafluoroarsenate(1-) (1:1)
CID 2737135
Diphenyliodonium hexafluorophosphate
CID 2737136
Iodylbenzene
CID 101840

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoropropyl(phenyl)iodanium?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoropropyl(phenyl)iodanium (CID 2760328) is 1,1,2,2,3,3,3-heptafluoropropyl(phenyl)iodanium.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoropropyl(phenyl)iodanium?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoropropyl(phenyl)iodanium is FC(F)(F)C(F)(F)C(F)(F)[I+]c1ccccc1.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoropropyl(phenyl)iodanium?
The InChIKey is RKQPNRUABHNCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F7I/c10-7(11,8(12,13)14)9(15,16)17-6-4-2-1-3-5-6/h1-5H/q+1.
What are the key properties of 1,1,2,2,3,3,3-heptafluoropropyl(phenyl)iodanium?
1,1,2,2,3,3,3-heptafluoropropyl(phenyl)iodanium has a molecular weight of 373.03 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoropropyl(phenyl)iodanium is sourced from PubChem (CID 2760328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).