2-[(2-chloro-6-fluorophenyl)methyl]-1,3-dioxolane

C10H10ClFO2 — CID 2757549

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-1,3-dioxolane
SMILESFc1cccc(Cl)c1CC1OCCO1
InChIInChI=1S/C10H10ClFO2/c11-8-2-1-3-9(12)7(8)6-10-13-4-5-14-10/h1-3,10H,4-6H2
InChIKeyUWJKXBZZDXBIQA-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.39
Rot. Bonds2

About 2-[(2-chloro-6-fluorophenyl)methyl]-1,3-dioxolane

2-[(2-chloro-6-fluorophenyl)methyl]-1,3-dioxolane (PubChem CID 2757549) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-1,3-dioxolane
PubChem CID2757549
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-1,3-dioxolane
SMILESFc1cccc(Cl)c1CC1OCCO1
InChIInChI=1S/C10H10ClFO2/c11-8-2-1-3-9(12)7(8)6-10-13-4-5-14-10/h1-3,10H,4-6H2
InChIKeyUWJKXBZZDXBIQA-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chloro-6-fluorophenyl)methyl]-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-chloro-6-fluorophenyl)methyl]-1,3-dioxolane?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-1,3-dioxolane (CID 2757549) is 2-[(2-chloro-6-fluorophenyl)methyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-1,3-dioxolane?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-1,3-dioxolane is Fc1cccc(Cl)c1CC1OCCO1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-1,3-dioxolane?
The InChIKey is UWJKXBZZDXBIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c11-8-2-1-3-9(12)7(8)6-10-13-4-5-14-10/h1-3,10H,4-6H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-1,3-dioxolane?
2-[(2-chloro-6-fluorophenyl)methyl]-1,3-dioxolane has a molecular weight of 216.64 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-1,3-dioxolane is sourced from PubChem (CID 2757549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).