2-[3-(4-chlorophenyl)-3-fluoroprop-2-enyl]-1,3-dioxolane

C12H12ClFO2 — CID 173075526

IUPAC2-[3-(4-chlorophenyl)-3-fluoroprop-2-enyl]-1,3-dioxolane
SMILESFC(=CCC1OCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClFO2/c13-10-3-1-9(2-4-10)11(14)5-6-12-15-7-8-16-12/h1-5,12H,6-8H2
InChIKeyHDFRNLFXWVHPNN-UHFFFAOYSA-N
MW242.68 g/mol
LogP3.41
Rot. Bonds3

About 2-[3-(4-chlorophenyl)-3-fluoroprop-2-enyl]-1,3-dioxolane

2-[3-(4-chlorophenyl)-3-fluoroprop-2-enyl]-1,3-dioxolane (PubChem CID 173075526) has the molecular formula C12H12ClFO2 and a molecular weight of 242.68 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-3-fluoroprop-2-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-3-fluoroprop-2-enyl]-1,3-dioxolane
PubChem CID173075526
Molecular FormulaC12H12ClFO2
Molecular Weight242.68 g/mol
Exact Mass242.05
IUPAC Name2-[3-(4-chlorophenyl)-3-fluoroprop-2-enyl]-1,3-dioxolane
SMILESFC(=CCC1OCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClFO2/c13-10-3-1-9(2-4-10)11(14)5-6-12-15-7-8-16-12/h1-5,12H,6-8H2
InChIKeyHDFRNLFXWVHPNN-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-3-fluoroprop-2-enyl]-1,3-dioxolane?
The IUPAC name of 2-[3-(4-chlorophenyl)-3-fluoroprop-2-enyl]-1,3-dioxolane (CID 173075526) is 2-[3-(4-chlorophenyl)-3-fluoroprop-2-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-3-fluoroprop-2-enyl]-1,3-dioxolane?
The canonical SMILES for 2-[3-(4-chlorophenyl)-3-fluoroprop-2-enyl]-1,3-dioxolane is FC(=CCC1OCCO1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-3-fluoroprop-2-enyl]-1,3-dioxolane?
The InChIKey is HDFRNLFXWVHPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFO2/c13-10-3-1-9(2-4-10)11(14)5-6-12-15-7-8-16-12/h1-5,12H,6-8H2.
What are the key properties of 2-[3-(4-chlorophenyl)-3-fluoroprop-2-enyl]-1,3-dioxolane?
2-[3-(4-chlorophenyl)-3-fluoroprop-2-enyl]-1,3-dioxolane has a molecular weight of 242.68 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-3-fluoroprop-2-enyl]-1,3-dioxolane is sourced from PubChem (CID 173075526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).