2-(3-chloropropyl)-4-fluoro-1-iodobenzene

C9H9ClFI — CID 118801951

IUPAC2-(3-chloropropyl)-4-fluoro-1-iodobenzene
SMILESFc1ccc(I)c(CCCCl)c1
InChIInChI=1S/C9H9ClFI/c10-5-1-2-7-6-8(11)3-4-9(7)12/h3-4,6H,1-2,5H2
InChIKeyIAYHLAWJJISSKE-UHFFFAOYSA-N
MW298.53 g/mol
LogP3.60
Rot. Bonds3

About 2-(3-chloropropyl)-4-fluoro-1-iodobenzene

2-(3-chloropropyl)-4-fluoro-1-iodobenzene (PubChem CID 118801951) has the molecular formula C9H9ClFI and a molecular weight of 298.53 g/mol. Its IUPAC name is 2-(3-chloropropyl)-4-fluoro-1-iodobenzene.

Molecular Properties

Compound Name2-(3-chloropropyl)-4-fluoro-1-iodobenzene
PubChem CID118801951
Molecular FormulaC9H9ClFI
Molecular Weight298.53 g/mol
Exact Mass297.94
IUPAC Name2-(3-chloropropyl)-4-fluoro-1-iodobenzene
SMILESFc1ccc(I)c(CCCCl)c1
InChIInChI=1S/C9H9ClFI/c10-5-1-2-7-6-8(11)3-4-9(7)12/h3-4,6H,1-2,5H2
InChIKeyIAYHLAWJJISSKE-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.53
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-4-fluoro-1-iodobenzene?
The IUPAC name of 2-(3-chloropropyl)-4-fluoro-1-iodobenzene (CID 118801951) is 2-(3-chloropropyl)-4-fluoro-1-iodobenzene.
What is the SMILES notation for 2-(3-chloropropyl)-4-fluoro-1-iodobenzene?
The canonical SMILES for 2-(3-chloropropyl)-4-fluoro-1-iodobenzene is Fc1ccc(I)c(CCCCl)c1.
What is the InChIKey of 2-(3-chloropropyl)-4-fluoro-1-iodobenzene?
The InChIKey is IAYHLAWJJISSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFI/c10-5-1-2-7-6-8(11)3-4-9(7)12/h3-4,6H,1-2,5H2.
What are the key properties of 2-(3-chloropropyl)-4-fluoro-1-iodobenzene?
2-(3-chloropropyl)-4-fluoro-1-iodobenzene has a molecular weight of 298.53 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-4-fluoro-1-iodobenzene is sourced from PubChem (CID 118801951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).