5-ethoxy-1-(4-fluorophenyl)pentane-1,3-dione

C13H15FO3 — CID 43138983

IUPAC5-ethoxy-1-(4-fluorophenyl)pentane-1,3-dione
SMILESCCOCCC(=O)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H15FO3/c1-2-17-8-7-12(15)9-13(16)10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyZGWNTUDPXNYSEJ-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.39
Rot. Bonds7

About 5-ethoxy-1-(4-fluorophenyl)pentane-1,3-dione

5-ethoxy-1-(4-fluorophenyl)pentane-1,3-dione (PubChem CID 43138983) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 5-ethoxy-1-(4-fluorophenyl)pentane-1,3-dione.

Molecular Properties

Compound Name5-ethoxy-1-(4-fluorophenyl)pentane-1,3-dione
PubChem CID43138983
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name5-ethoxy-1-(4-fluorophenyl)pentane-1,3-dione
SMILESCCOCCC(=O)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H15FO3/c1-2-17-8-7-12(15)9-13(16)10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyZGWNTUDPXNYSEJ-UHFFFAOYSA-N
XLogP2.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-ethoxy-1-pyridin-4-ylpentane-1,3-dione
CID 43139027
3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 81058005
1-(1,3-benzodioxol-5-yl)-5-ethoxypentane-1,3-dione
CID 43321491
2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 81056894
ethyl 3-(4-fluorophenyl)-3-oxopropanoate;propane
CID 174275035
4-fluoro-1-(4-fluorophenyl)butane-1,3-dione
CID 15552603
5-ethoxy-1-(4-methyl-3-nitrophenyl)pentane-1,3-dione
CID 43321492
1-(4-chlorophenyl)-3-ethoxypropan-1-one
CID 115601476
1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one
CID 43793380
1-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 43793495
1-(2,4-dichlorophenyl)-5-ethoxypentane-1,3-dione
CID 43321488
1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one
CID 112588313

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(4-fluorophenyl)pentane-1,3-dione?
The IUPAC name of 5-ethoxy-1-(4-fluorophenyl)pentane-1,3-dione (CID 43138983) is 5-ethoxy-1-(4-fluorophenyl)pentane-1,3-dione.
What is the SMILES notation for 5-ethoxy-1-(4-fluorophenyl)pentane-1,3-dione?
The canonical SMILES for 5-ethoxy-1-(4-fluorophenyl)pentane-1,3-dione is CCOCCC(=O)CC(=O)c1ccc(F)cc1.
What is the InChIKey of 5-ethoxy-1-(4-fluorophenyl)pentane-1,3-dione?
The InChIKey is ZGWNTUDPXNYSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-2-17-8-7-12(15)9-13(16)10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3.
What are the key properties of 5-ethoxy-1-(4-fluorophenyl)pentane-1,3-dione?
5-ethoxy-1-(4-fluorophenyl)pentane-1,3-dione has a molecular weight of 238.26 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(4-fluorophenyl)pentane-1,3-dione is sourced from PubChem (CID 43138983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).