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

C10H10ClFO2 — CID 82776808

IUPAC4-(chloromethyl)-2-(3-fluorophenyl)-1,3-dioxolane
SMILESFc1cccc(C2OCC(CCl)O2)c1
InChIInChI=1S/C10H10ClFO2/c11-5-9-6-13-10(14-9)7-2-1-3-8(12)4-7/h1-4,9-10H,5-6H2
InChIKeyWHGBIIZCJKUFQF-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.48
Rot. Bonds2

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

4-(chloromethyl)-2-(3-fluorophenyl)-1,3-dioxolane (PubChem CID 82776808) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(3-fluorophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-(chloromethyl)-2-(3-fluorophenyl)-1,3-dioxolane
PubChem CID82776808
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name4-(chloromethyl)-2-(3-fluorophenyl)-1,3-dioxolane
SMILESFc1cccc(C2OCC(CCl)O2)c1
InChIInChI=1S/C10H10ClFO2/c11-5-9-6-13-10(14-9)7-2-1-3-8(12)4-7/h1-4,9-10H,5-6H2
InChIKeyWHGBIIZCJKUFQF-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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 4-(chloromethyl)-2-(3-fluorophenyl)-1,3-dioxolane?
The IUPAC name of 4-(chloromethyl)-2-(3-fluorophenyl)-1,3-dioxolane (CID 82776808) is 4-(chloromethyl)-2-(3-fluorophenyl)-1,3-dioxolane.
What is the SMILES notation for 4-(chloromethyl)-2-(3-fluorophenyl)-1,3-dioxolane?
The canonical SMILES for 4-(chloromethyl)-2-(3-fluorophenyl)-1,3-dioxolane is Fc1cccc(C2OCC(CCl)O2)c1.
What is the InChIKey of 4-(chloromethyl)-2-(3-fluorophenyl)-1,3-dioxolane?
The InChIKey is WHGBIIZCJKUFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c11-5-9-6-13-10(14-9)7-2-1-3-8(12)4-7/h1-4,9-10H,5-6H2.
What are the key properties of 4-(chloromethyl)-2-(3-fluorophenyl)-1,3-dioxolane?
4-(chloromethyl)-2-(3-fluorophenyl)-1,3-dioxolane has a molecular weight of 216.64 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(3-fluorophenyl)-1,3-dioxolane is sourced from PubChem (CID 82776808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).