2-(3-chloropropyl)-2-(2,4-difluorophenyl)-1,3-dioxolane

C12H13ClF2O2 — CID 10244473

IUPAC2-(3-chloropropyl)-2-(2,4-difluorophenyl)-1,3-dioxolane
SMILESFc1ccc(C2(CCCCl)OCCO2)c(F)c1
InChIInChI=1S/C12H13ClF2O2/c13-5-1-4-12(16-6-7-17-12)10-3-2-9(14)8-11(10)15/h2-3,8H,1,4-7H2
InChIKeyINKXUVDVFWOIBB-UHFFFAOYSA-N
MW262.68 g/mol
LogP3.18
Rot. Bonds4

About 2-(3-chloropropyl)-2-(2,4-difluorophenyl)-1,3-dioxolane

2-(3-chloropropyl)-2-(2,4-difluorophenyl)-1,3-dioxolane (PubChem CID 10244473) has the molecular formula C12H13ClF2O2 and a molecular weight of 262.68 g/mol. Its IUPAC name is 2-(3-chloropropyl)-2-(2,4-difluorophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-chloropropyl)-2-(2,4-difluorophenyl)-1,3-dioxolane
PubChem CID10244473
Molecular FormulaC12H13ClF2O2
Molecular Weight262.68 g/mol
Exact Mass262.06
IUPAC Name2-(3-chloropropyl)-2-(2,4-difluorophenyl)-1,3-dioxolane
SMILESFc1ccc(C2(CCCCl)OCCO2)c(F)c1
InChIInChI=1S/C12H13ClF2O2/c13-5-1-4-12(16-6-7-17-12)10-3-2-9(14)8-11(10)15/h2-3,8H,1,4-7H2
InChIKeyINKXUVDVFWOIBB-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 53.18
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-(3-chloropropyl)-2-(2,4-difluorophenyl)-1,3-dioxolane?
The IUPAC name of 2-(3-chloropropyl)-2-(2,4-difluorophenyl)-1,3-dioxolane (CID 10244473) is 2-(3-chloropropyl)-2-(2,4-difluorophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-chloropropyl)-2-(2,4-difluorophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(3-chloropropyl)-2-(2,4-difluorophenyl)-1,3-dioxolane is Fc1ccc(C2(CCCCl)OCCO2)c(F)c1.
What is the InChIKey of 2-(3-chloropropyl)-2-(2,4-difluorophenyl)-1,3-dioxolane?
The InChIKey is INKXUVDVFWOIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2O2/c13-5-1-4-12(16-6-7-17-12)10-3-2-9(14)8-11(10)15/h2-3,8H,1,4-7H2.
What are the key properties of 2-(3-chloropropyl)-2-(2,4-difluorophenyl)-1,3-dioxolane?
2-(3-chloropropyl)-2-(2,4-difluorophenyl)-1,3-dioxolane has a molecular weight of 262.68 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-2-(2,4-difluorophenyl)-1,3-dioxolane is sourced from PubChem (CID 10244473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).