1-fluoro-2,3-diiodobenzene

C6H3FI2 — CID 10958978

IUPAC1-fluoro-2,3-diiodobenzene
SMILESFc1cccc(I)c1I
InChIInChI=1S/C6H3FI2/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChIKeyJYFUOBSQTCVCGQ-UHFFFAOYSA-N
MW347.90 g/mol
LogP3.03
Rot. Bonds

About 1-fluoro-2,3-diiodobenzene

1-fluoro-2,3-diiodobenzene (PubChem CID 10958978) has the molecular formula C6H3FI2 and a molecular weight of 347.90 g/mol. Its IUPAC name is 1-fluoro-2,3-diiodobenzene.

Molecular Properties

Compound Name1-fluoro-2,3-diiodobenzene
PubChem CID10958978
Molecular FormulaC6H3FI2
Molecular Weight347.90 g/mol
Exact Mass347.83
IUPAC Name1-fluoro-2,3-diiodobenzene
SMILESFc1cccc(I)c1I
InChIInChI=1S/C6H3FI2/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChIKeyJYFUOBSQTCVCGQ-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.90
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,3-diiodobenzene?
The IUPAC name of 1-fluoro-2,3-diiodobenzene (CID 10958978) is 1-fluoro-2,3-diiodobenzene.
What is the SMILES notation for 1-fluoro-2,3-diiodobenzene?
The canonical SMILES for 1-fluoro-2,3-diiodobenzene is Fc1cccc(I)c1I.
What is the InChIKey of 1-fluoro-2,3-diiodobenzene?
The InChIKey is JYFUOBSQTCVCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FI2/c7-4-2-1-3-5(8)6(4)9/h1-3H.
What are the key properties of 1-fluoro-2,3-diiodobenzene?
1-fluoro-2,3-diiodobenzene has a molecular weight of 347.90 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,3-diiodobenzene is sourced from PubChem (CID 10958978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).