1-[2-(4-fluorophenyl)-5-methyl-2,3-dihydrofuran-4-yl]ethanone

C13H13FO2 — CID 46895163

IUPAC1-[2-(4-fluorophenyl)-5-methyl-2,3-dihydrofuran-4-yl]ethanone
SMILESCC(=O)C1=C(C)OC(c2ccc(F)cc2)C1
InChIInChI=1S/C13H13FO2/c1-8(15)12-7-13(16-9(12)2)10-3-5-11(14)6-4-10/h3-6,13H,7H2,1-2H3
InChIKeyAVITXJLGZUEYNU-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.15
Rot. Bonds2

About 1-[2-(4-fluorophenyl)-5-methyl-2,3-dihydrofuran-4-yl]ethanone

1-[2-(4-fluorophenyl)-5-methyl-2,3-dihydrofuran-4-yl]ethanone (PubChem CID 46895163) has the molecular formula C13H13FO2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-5-methyl-2,3-dihydrofuran-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-5-methyl-2,3-dihydrofuran-4-yl]ethanone
PubChem CID46895163
Molecular FormulaC13H13FO2
Molecular Weight220.24 g/mol
Exact Mass220.09
IUPAC Name1-[2-(4-fluorophenyl)-5-methyl-2,3-dihydrofuran-4-yl]ethanone
SMILESCC(=O)C1=C(C)OC(c2ccc(F)cc2)C1
InChIInChI=1S/C13H13FO2/c1-8(15)12-7-13(16-9(12)2)10-3-5-11(14)6-4-10/h3-6,13H,7H2,1-2H3
InChIKeyAVITXJLGZUEYNU-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-5-methyl-2,3-dihydrofuran-4-yl]ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)-5-methyl-2,3-dihydrofuran-4-yl]ethanone (CID 46895163) is 1-[2-(4-fluorophenyl)-5-methyl-2,3-dihydrofuran-4-yl]ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-5-methyl-2,3-dihydrofuran-4-yl]ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)-5-methyl-2,3-dihydrofuran-4-yl]ethanone is CC(=O)C1=C(C)OC(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-5-methyl-2,3-dihydrofuran-4-yl]ethanone?
The InChIKey is AVITXJLGZUEYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2/c1-8(15)12-7-13(16-9(12)2)10-3-5-11(14)6-4-10/h3-6,13H,7H2,1-2H3.
What are the key properties of 1-[2-(4-fluorophenyl)-5-methyl-2,3-dihydrofuran-4-yl]ethanone?
1-[2-(4-fluorophenyl)-5-methyl-2,3-dihydrofuran-4-yl]ethanone has a molecular weight of 220.24 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-5-methyl-2,3-dihydrofuran-4-yl]ethanone is sourced from PubChem (CID 46895163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).