4-chloro-1-fluoro-2-iodobenzene

C6H3ClFI — CID 2773652

IUPAC4-chloro-1-fluoro-2-iodobenzene
SMILESFc1ccc(Cl)cc1I
InChIInChI=1S/C6H3ClFI/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKeyCNJQPBYTHITJAO-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.08
Rot. Bonds

About 4-chloro-1-fluoro-2-iodobenzene

4-chloro-1-fluoro-2-iodobenzene (PubChem CID 2773652) has the molecular formula C6H3ClFI and a molecular weight of 256.44 g/mol. Its IUPAC name is 4-chloro-1-fluoro-2-iodobenzene.

Molecular Properties

Compound Name4-chloro-1-fluoro-2-iodobenzene
PubChem CID2773652
Molecular FormulaC6H3ClFI
Molecular Weight256.44 g/mol
Exact Mass255.90
IUPAC Name4-chloro-1-fluoro-2-iodobenzene
SMILESFc1ccc(Cl)cc1I
InChIInChI=1S/C6H3ClFI/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKeyCNJQPBYTHITJAO-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-fluoro-2-iodobenzene?
The IUPAC name of 4-chloro-1-fluoro-2-iodobenzene (CID 2773652) is 4-chloro-1-fluoro-2-iodobenzene.
What is the SMILES notation for 4-chloro-1-fluoro-2-iodobenzene?
The canonical SMILES for 4-chloro-1-fluoro-2-iodobenzene is Fc1ccc(Cl)cc1I.
What is the InChIKey of 4-chloro-1-fluoro-2-iodobenzene?
The InChIKey is CNJQPBYTHITJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFI/c7-4-1-2-5(8)6(9)3-4/h1-3H.
What are the key properties of 4-chloro-1-fluoro-2-iodobenzene?
4-chloro-1-fluoro-2-iodobenzene has a molecular weight of 256.44 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-fluoro-2-iodobenzene is sourced from PubChem (CID 2773652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).