3-(1,3-dioxolan-2-yl)-1-(4-fluorophenyl)propan-1-one

C12H13FO3 — CID 2758696

IUPAC3-(1,3-dioxolan-2-yl)-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCC1OCCO1)c1ccc(F)cc1
InChIInChI=1S/C12H13FO3/c13-10-3-1-9(2-4-10)11(14)5-6-12-15-7-8-16-12/h1-4,12H,5-8H2
InChIKeyMEOUVTIIMKHILV-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.16
Rot. Bonds4

About 3-(1,3-dioxolan-2-yl)-1-(4-fluorophenyl)propan-1-one

3-(1,3-dioxolan-2-yl)-1-(4-fluorophenyl)propan-1-one (PubChem CID 2758696) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-1-(4-fluorophenyl)propan-1-one
PubChem CID2758696
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name3-(1,3-dioxolan-2-yl)-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCC1OCCO1)c1ccc(F)cc1
InChIInChI=1S/C12H13FO3/c13-10-3-1-9(2-4-10)11(14)5-6-12-15-7-8-16-12/h1-4,12H,5-8H2
InChIKeyMEOUVTIIMKHILV-UHFFFAOYSA-N
XLogP2.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-1-(4-fluorophenyl)propan-1-one (CID 2758696) is 3-(1,3-dioxolan-2-yl)-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-1-(4-fluorophenyl)propan-1-one is O=C(CCC1OCCO1)c1ccc(F)cc1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-1-(4-fluorophenyl)propan-1-one?
The InChIKey is MEOUVTIIMKHILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c13-10-3-1-9(2-4-10)11(14)5-6-12-15-7-8-16-12/h1-4,12H,5-8H2.
What are the key properties of 3-(1,3-dioxolan-2-yl)-1-(4-fluorophenyl)propan-1-one?
3-(1,3-dioxolan-2-yl)-1-(4-fluorophenyl)propan-1-one has a molecular weight of 224.23 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 2758696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).