(1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene

C₉H₅F₆I — CID 163925016

About (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene

(1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene (PubChem CID 163925016) has the molecular formula C₉H₅F₆I and a molecular weight of 354.03 g/mol. Its IUPAC name is (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene.

Molecular Properties

• Compound Name: (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene
• PubChem CID: 163925016
• Molecular Formula: C₉H₅F₆I
• Molecular Weight: 354.03 g/mol
• Exact Mass: 353.93
• IUPAC Name: (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene
• SMILES: FC(F)(I)C(F)(F)C(F)(F)c1ccccc1
• InChI: InChI=1S/C9H5F6I/c10-7(11,6-4-2-1-3-5-6)8(12,13)9(14,15)16/h1-5H
• InChIKey: RDRLJPQFNRVHIR-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.03
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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'}

Frequently Asked Questions

What is the IUPAC name of (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene?

The IUPAC name of (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene (CID 163925016) is (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene.

What is the SMILES notation for (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene?

The canonical SMILES for (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene is FC(F)(I)C(F)(F)C(F)(F)c1ccccc1.

What is the InChIKey of (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene?

The InChIKey is RDRLJPQFNRVHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6I/c10-7(11,6-4-2-1-3-5-6)8(12,13)9(14,15)16/h1-5H.

What are the key properties of (1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene?

(1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene has a molecular weight of 354.03 g/mol, XLogP of 4.44, 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-hexafluoro-3-iodopropyl)benzene is sourced from PubChem (CID 163925016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163925016 — identifiers, structure, computed properties (public domain)

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