2-(4-chloro-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane

C10H9Cl2FO2 — CID 114867994

IUPAC2-(4-chloro-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane
SMILESFc1cc(Cl)ccc1C1OCC(CCl)O1
InChIInChI=1S/C10H9Cl2FO2/c11-4-7-5-14-10(15-7)8-2-1-6(12)3-9(8)13/h1-3,7,10H,4-5H2
InChIKeyAIKUFNQSQMJFIQ-UHFFFAOYSA-N
MW251.08 g/mol
LogP3.13
Rot. Bonds2

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

2-(4-chloro-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane (PubChem CID 114867994) has the molecular formula C10H9Cl2FO2 and a molecular weight of 251.08 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane
PubChem CID114867994
Molecular FormulaC10H9Cl2FO2
Molecular Weight251.08 g/mol
Exact Mass250.00
IUPAC Name2-(4-chloro-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane
SMILESFc1cc(Cl)ccc1C1OCC(CCl)O1
InChIInChI=1S/C10H9Cl2FO2/c11-4-7-5-14-10(15-7)8-2-1-6(12)3-9(8)13/h1-3,7,10H,4-5H2
InChIKeyAIKUFNQSQMJFIQ-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 53.13
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-(4-chloro-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane (CID 114867994) is 2-(4-chloro-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane is Fc1cc(Cl)ccc1C1OCC(CCl)O1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane?
The InChIKey is AIKUFNQSQMJFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2FO2/c11-4-7-5-14-10(15-7)8-2-1-6(12)3-9(8)13/h1-3,7,10H,4-5H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane?
2-(4-chloro-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane has a molecular weight of 251.08 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane is sourced from PubChem (CID 114867994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).