1,5-dichloro-2-fluoro-3-iodobenzene

C6H2Cl2FI — CID 121228334

IUPAC1,5-dichloro-2-fluoro-3-iodobenzene
SMILESFc1c(Cl)cc(Cl)cc1I
InChIInChI=1S/C6H2Cl2FI/c7-3-1-4(8)6(9)5(10)2-3/h1-2H
InChIKeyXRUKLBAMAGZORL-UHFFFAOYSA-N
MW290.89 g/mol
LogP3.74
Rot. Bonds

About 1,5-dichloro-2-fluoro-3-iodobenzene

1,5-dichloro-2-fluoro-3-iodobenzene (PubChem CID 121228334) has the molecular formula C6H2Cl2FI and a molecular weight of 290.89 g/mol. Its IUPAC name is 1,5-dichloro-2-fluoro-3-iodobenzene.

Molecular Properties

Compound Name1,5-dichloro-2-fluoro-3-iodobenzene
PubChem CID121228334
Molecular FormulaC6H2Cl2FI
Molecular Weight290.89 g/mol
Exact Mass289.86
IUPAC Name1,5-dichloro-2-fluoro-3-iodobenzene
SMILESFc1c(Cl)cc(Cl)cc1I
InChIInChI=1S/C6H2Cl2FI/c7-3-1-4(8)6(9)5(10)2-3/h1-2H
InChIKeyXRUKLBAMAGZORL-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.89
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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 1,5-dichloro-2-fluoro-3-iodobenzene?
The IUPAC name of 1,5-dichloro-2-fluoro-3-iodobenzene (CID 121228334) is 1,5-dichloro-2-fluoro-3-iodobenzene.
What is the SMILES notation for 1,5-dichloro-2-fluoro-3-iodobenzene?
The canonical SMILES for 1,5-dichloro-2-fluoro-3-iodobenzene is Fc1c(Cl)cc(Cl)cc1I.
What is the InChIKey of 1,5-dichloro-2-fluoro-3-iodobenzene?
The InChIKey is XRUKLBAMAGZORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2FI/c7-3-1-4(8)6(9)5(10)2-3/h1-2H.
What are the key properties of 1,5-dichloro-2-fluoro-3-iodobenzene?
1,5-dichloro-2-fluoro-3-iodobenzene has a molecular weight of 290.89 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2-fluoro-3-iodobenzene is sourced from PubChem (CID 121228334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).