2-(2-chloroethyl)-2-(4-fluorophenyl)-1,3-dioxolane

C11H12ClFO2 — CID 20547970

IUPAC2-(2-chloroethyl)-2-(4-fluorophenyl)-1,3-dioxolane
SMILESFc1ccc(C2(CCCl)OCCO2)cc1
InChIInChI=1S/C11H12ClFO2/c12-6-5-11(14-7-8-15-11)9-1-3-10(13)4-2-9/h1-4H,5-8H2
InChIKeyGNOMVAKGDKBCHV-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.65
Rot. Bonds3

About 2-(2-chloroethyl)-2-(4-fluorophenyl)-1,3-dioxolane

2-(2-chloroethyl)-2-(4-fluorophenyl)-1,3-dioxolane (PubChem CID 20547970) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-(2-chloroethyl)-2-(4-fluorophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-chloroethyl)-2-(4-fluorophenyl)-1,3-dioxolane
PubChem CID20547970
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name2-(2-chloroethyl)-2-(4-fluorophenyl)-1,3-dioxolane
SMILESFc1ccc(C2(CCCl)OCCO2)cc1
InChIInChI=1S/C11H12ClFO2/c12-6-5-11(14-7-8-15-11)9-1-3-10(13)4-2-9/h1-4H,5-8H2
InChIKeyGNOMVAKGDKBCHV-UHFFFAOYSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-2-(4-fluorophenyl)-1,3-dioxolane?
The IUPAC name of 2-(2-chloroethyl)-2-(4-fluorophenyl)-1,3-dioxolane (CID 20547970) is 2-(2-chloroethyl)-2-(4-fluorophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-chloroethyl)-2-(4-fluorophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-chloroethyl)-2-(4-fluorophenyl)-1,3-dioxolane is Fc1ccc(C2(CCCl)OCCO2)cc1.
What is the InChIKey of 2-(2-chloroethyl)-2-(4-fluorophenyl)-1,3-dioxolane?
The InChIKey is GNOMVAKGDKBCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c12-6-5-11(14-7-8-15-11)9-1-3-10(13)4-2-9/h1-4H,5-8H2.
What are the key properties of 2-(2-chloroethyl)-2-(4-fluorophenyl)-1,3-dioxolane?
2-(2-chloroethyl)-2-(4-fluorophenyl)-1,3-dioxolane has a molecular weight of 230.67 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-2-(4-fluorophenyl)-1,3-dioxolane is sourced from PubChem (CID 20547970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).