2-(2,3-difluoro-6-iodophenyl)-1,3-dioxolane

C9H7F2IO2 — CID 171367349

IUPAC2-(2,3-difluoro-6-iodophenyl)-1,3-dioxolane
SMILESFc1ccc(I)c(C2OCCO2)c1F
InChIInChI=1S/C9H7F2IO2/c10-5-1-2-6(12)7(8(5)11)9-13-3-4-14-9/h1-2,9H,3-4H2
InChIKeyGKMNPEYKEIHXIZ-UHFFFAOYSA-N
MW312.05 g/mol
LogP2.61
Rot. Bonds1

About 2-(2,3-difluoro-6-iodophenyl)-1,3-dioxolane

2-(2,3-difluoro-6-iodophenyl)-1,3-dioxolane (PubChem CID 171367349) has the molecular formula C9H7F2IO2 and a molecular weight of 312.05 g/mol. Its IUPAC name is 2-(2,3-difluoro-6-iodophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,3-difluoro-6-iodophenyl)-1,3-dioxolane
PubChem CID171367349
Molecular FormulaC9H7F2IO2
Molecular Weight312.05 g/mol
Exact Mass311.95
IUPAC Name2-(2,3-difluoro-6-iodophenyl)-1,3-dioxolane
SMILESFc1ccc(I)c(C2OCCO2)c1F
InChIInChI=1S/C9H7F2IO2/c10-5-1-2-6(12)7(8(5)11)9-13-3-4-14-9/h1-2,9H,3-4H2
InChIKeyGKMNPEYKEIHXIZ-UHFFFAOYSA-N
XLogP2.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.05
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,3-difluoro-6-iodophenyl)-1,3-dioxolane 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 2-(2,3-difluoro-6-iodophenyl)-1,3-dioxolane?
The IUPAC name of 2-(2,3-difluoro-6-iodophenyl)-1,3-dioxolane (CID 171367349) is 2-(2,3-difluoro-6-iodophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2,3-difluoro-6-iodophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2,3-difluoro-6-iodophenyl)-1,3-dioxolane is Fc1ccc(I)c(C2OCCO2)c1F.
What is the InChIKey of 2-(2,3-difluoro-6-iodophenyl)-1,3-dioxolane?
The InChIKey is GKMNPEYKEIHXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2IO2/c10-5-1-2-6(12)7(8(5)11)9-13-3-4-14-9/h1-2,9H,3-4H2.
What are the key properties of 2-(2,3-difluoro-6-iodophenyl)-1,3-dioxolane?
2-(2,3-difluoro-6-iodophenyl)-1,3-dioxolane has a molecular weight of 312.05 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-6-iodophenyl)-1,3-dioxolane is sourced from PubChem (CID 171367349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).