4-chloro-2-fluoro-1-iodobenzene

C6H3ClFI — CID 2736562

IUPAC4-chloro-2-fluoro-1-iodobenzene
SMILESFc1cc(Cl)ccc1I
InChIInChI=1S/C6H3ClFI/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKeyRSTFBOIFYXJIMR-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.08
Rot. Bonds

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

4-chloro-2-fluoro-1-iodobenzene (PubChem CID 2736562) has the molecular formula C6H3ClFI and a molecular weight of 256.44 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-iodobenzene.

Molecular Properties

Compound Name4-chloro-2-fluoro-1-iodobenzene
PubChem CID2736562
Molecular FormulaC6H3ClFI
Molecular Weight256.44 g/mol
Exact Mass255.90
IUPAC Name4-chloro-2-fluoro-1-iodobenzene
SMILESFc1cc(Cl)ccc1I
InChIInChI=1S/C6H3ClFI/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKeyRSTFBOIFYXJIMR-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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Related Compounds

Chlorobenzene
CID 7964
1-Chloro-2-fluorobenzene
CID 9583
1-Chloro-2-iodobenzene
CID 11993
1-Chloro-3-iodobenzene
CID 12269
1-Chloro-4-iodobenzene
CID 12510
Benzene, 1,2-dichloro-4-iodo-
CID 88591
Benzene, 2,4-dichloro-1-fluoro-
CID 123112
2,5-Dichlorofluorobenzene
CID 136173
1,3,5-Trichloro-2-iodobenzene
CID 232054
Benzene, 1-chloro-4-fluoro-
CID 9604
1,3-Dichloro-5-iodobenzene
CID 76424
1,4-Dichloro-2-iodobenzene
CID 122452

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1-iodobenzene?
The IUPAC name of 4-chloro-2-fluoro-1-iodobenzene (CID 2736562) is 4-chloro-2-fluoro-1-iodobenzene.
What is the SMILES notation for 4-chloro-2-fluoro-1-iodobenzene?
The canonical SMILES for 4-chloro-2-fluoro-1-iodobenzene is Fc1cc(Cl)ccc1I.
What is the InChIKey of 4-chloro-2-fluoro-1-iodobenzene?
The InChIKey is RSTFBOIFYXJIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFI/c7-4-1-2-6(9)5(8)3-4/h1-3H.
What are the key properties of 4-chloro-2-fluoro-1-iodobenzene?
4-chloro-2-fluoro-1-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-2-fluoro-1-iodobenzene is sourced from PubChem (CID 2736562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).