1-chloro-3-ethyl-2-fluoro-4-iodobenzene

C8H7ClFI — CID 164893690

IUPAC1-chloro-3-ethyl-2-fluoro-4-iodobenzene
SMILESCCc1c(I)ccc(Cl)c1F
InChIInChI=1S/C8H7ClFI/c1-2-5-7(11)4-3-6(9)8(5)10/h3-4H,2H2,1H3
InChIKeyMXRKUMZPCYSZGR-UHFFFAOYSA-N
MW284.50 g/mol
LogP3.65
Rot. Bonds1

About 1-chloro-3-ethyl-2-fluoro-4-iodobenzene

1-chloro-3-ethyl-2-fluoro-4-iodobenzene (PubChem CID 164893690) has the molecular formula C8H7ClFI and a molecular weight of 284.50 g/mol. Its IUPAC name is 1-chloro-3-ethyl-2-fluoro-4-iodobenzene.

Molecular Properties

Compound Name1-chloro-3-ethyl-2-fluoro-4-iodobenzene
PubChem CID164893690
Molecular FormulaC8H7ClFI
Molecular Weight284.50 g/mol
Exact Mass283.93
IUPAC Name1-chloro-3-ethyl-2-fluoro-4-iodobenzene
SMILESCCc1c(I)ccc(Cl)c1F
InChIInChI=1S/C8H7ClFI/c1-2-5-7(11)4-3-6(9)8(5)10/h3-4H,2H2,1H3
InChIKeyMXRKUMZPCYSZGR-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.50
LogP ≤ 53.65
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'}

Analyze 1-chloro-3-ethyl-2-fluoro-4-iodobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-ethyl-2-fluoro-4-iodobenzene?
The IUPAC name of 1-chloro-3-ethyl-2-fluoro-4-iodobenzene (CID 164893690) is 1-chloro-3-ethyl-2-fluoro-4-iodobenzene.
What is the SMILES notation for 1-chloro-3-ethyl-2-fluoro-4-iodobenzene?
The canonical SMILES for 1-chloro-3-ethyl-2-fluoro-4-iodobenzene is CCc1c(I)ccc(Cl)c1F.
What is the InChIKey of 1-chloro-3-ethyl-2-fluoro-4-iodobenzene?
The InChIKey is MXRKUMZPCYSZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFI/c1-2-5-7(11)4-3-6(9)8(5)10/h3-4H,2H2,1H3.
What are the key properties of 1-chloro-3-ethyl-2-fluoro-4-iodobenzene?
1-chloro-3-ethyl-2-fluoro-4-iodobenzene has a molecular weight of 284.50 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-ethyl-2-fluoro-4-iodobenzene is sourced from PubChem (CID 164893690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).