2-(5-bromo-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane

C10H9BrClFO2 — CID 82775367

IUPAC2-(5-bromo-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane
SMILESFc1ccc(Br)cc1C1OCC(CCl)O1
InChIInChI=1S/C10H9BrClFO2/c11-6-1-2-9(13)8(3-6)10-14-5-7(4-12)15-10/h1-3,7,10H,4-5H2
InChIKeyUNWVAJSIXKDCQB-UHFFFAOYSA-N
MW295.54 g/mol
LogP3.24
Rot. Bonds2

About 2-(5-bromo-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane

2-(5-bromo-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane (PubChem CID 82775367) has the molecular formula C10H9BrClFO2 and a molecular weight of 295.54 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane
PubChem CID82775367
Molecular FormulaC10H9BrClFO2
Molecular Weight295.54 g/mol
Exact Mass293.95
IUPAC Name2-(5-bromo-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane
SMILESFc1ccc(Br)cc1C1OCC(CCl)O1
InChIInChI=1S/C10H9BrClFO2/c11-6-1-2-9(13)8(3-6)10-14-5-7(4-12)15-10/h1-3,7,10H,4-5H2
InChIKeyUNWVAJSIXKDCQB-UHFFFAOYSA-N
XLogP3.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.54
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-2-fluorophenyl)-4-(chloromethyl)-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-(5-bromo-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane (CID 82775367) is 2-(5-bromo-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane is Fc1ccc(Br)cc1C1OCC(CCl)O1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane?
The InChIKey is UNWVAJSIXKDCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClFO2/c11-6-1-2-9(13)8(3-6)10-14-5-7(4-12)15-10/h1-3,7,10H,4-5H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane?
2-(5-bromo-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane has a molecular weight of 295.54 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane is sourced from PubChem (CID 82775367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).