3-(3-chloro-4-fluorophenyl)-3-methyloxolane-2,5-dione

C11H8ClFO3 — CID 43134900

IUPAC3-(3-chloro-4-fluorophenyl)-3-methyloxolane-2,5-dione
SMILESCC1(c2ccc(F)c(Cl)c2)CC(=O)OC1=O
InChIInChI=1S/C11H8ClFO3/c1-11(5-9(14)16-10(11)15)6-2-3-8(13)7(12)4-6/h2-4H,5H2,1H3
InChIKeyJRQMFPLWHQJONS-UHFFFAOYSA-N
MW242.63 g/mol
LogP2.21
Rot. Bonds1

About 3-(3-chloro-4-fluorophenyl)-3-methyloxolane-2,5-dione

3-(3-chloro-4-fluorophenyl)-3-methyloxolane-2,5-dione (PubChem CID 43134900) has the molecular formula C11H8ClFO3 and a molecular weight of 242.63 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-3-methyloxolane-2,5-dione.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-3-methyloxolane-2,5-dione
PubChem CID43134900
Molecular FormulaC11H8ClFO3
Molecular Weight242.63 g/mol
Exact Mass242.01
IUPAC Name3-(3-chloro-4-fluorophenyl)-3-methyloxolane-2,5-dione
SMILESCC1(c2ccc(F)c(Cl)c2)CC(=O)OC1=O
InChIInChI=1S/C11H8ClFO3/c1-11(5-9(14)16-10(11)15)6-2-3-8(13)7(12)4-6/h2-4H,5H2,1H3
InChIKeyJRQMFPLWHQJONS-UHFFFAOYSA-N
XLogP2.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(3-chloro-4-fluorophenyl)-3-methyloxolane-2,5-dione 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 3-(3-chloro-4-fluorophenyl)-3-methyloxolane-2,5-dione?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-3-methyloxolane-2,5-dione (CID 43134900) is 3-(3-chloro-4-fluorophenyl)-3-methyloxolane-2,5-dione.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-3-methyloxolane-2,5-dione?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-3-methyloxolane-2,5-dione is CC1(c2ccc(F)c(Cl)c2)CC(=O)OC1=O.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-3-methyloxolane-2,5-dione?
The InChIKey is JRQMFPLWHQJONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFO3/c1-11(5-9(14)16-10(11)15)6-2-3-8(13)7(12)4-6/h2-4H,5H2,1H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-3-methyloxolane-2,5-dione?
3-(3-chloro-4-fluorophenyl)-3-methyloxolane-2,5-dione has a molecular weight of 242.63 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-3-methyloxolane-2,5-dione is sourced from PubChem (CID 43134900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).