1-(2-chlorophenyl)-5-(4-fluorophenyl)pentane-1,3,5-trione

C17H12ClFO3 — CID 10615548

IUPAC1-(2-chlorophenyl)-5-(4-fluorophenyl)pentane-1,3,5-trione
SMILESO=C(CC(=O)c1ccc(F)cc1)CC(=O)c1ccccc1Cl
InChIInChI=1S/C17H12ClFO3/c18-15-4-2-1-3-14(15)17(22)10-13(20)9-16(21)11-5-7-12(19)8-6-11/h1-8H,9-10H2
InChIKeyQTFDSAFNICJKQX-UHFFFAOYSA-N
MW318.73 g/mol
LogP3.89
Rot. Bonds6

About 1-(2-chlorophenyl)-5-(4-fluorophenyl)pentane-1,3,5-trione

1-(2-chlorophenyl)-5-(4-fluorophenyl)pentane-1,3,5-trione (PubChem CID 10615548) has the molecular formula C17H12ClFO3 and a molecular weight of 318.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(4-fluorophenyl)pentane-1,3,5-trione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(4-fluorophenyl)pentane-1,3,5-trione
PubChem CID10615548
Molecular FormulaC17H12ClFO3
Molecular Weight318.73 g/mol
Exact Mass318.05
IUPAC Name1-(2-chlorophenyl)-5-(4-fluorophenyl)pentane-1,3,5-trione
SMILESO=C(CC(=O)c1ccc(F)cc1)CC(=O)c1ccccc1Cl
InChIInChI=1S/C17H12ClFO3/c18-15-4-2-1-3-14(15)17(22)10-13(20)9-16(21)11-5-7-12(19)8-6-11/h1-8H,9-10H2
InChIKeyQTFDSAFNICJKQX-UHFFFAOYSA-N
XLogP3.89
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 15552603
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CID 43412234
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
(3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone
CID 64714669
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CID 4123308
1-(2,4-dichloro-5-fluorophenyl)-3-phenylpropane-1,3-dione
CID 60928883
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 111451146
N-(2-chlorophenyl)-2-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 5077271
N-[4,4-bis(4-fluorophenyl)but-3-enyl]-2-chlorobenzamide
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1-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-yn-1-one
CID 166445967
5-(4-chlorophenyl)-3,5-dioxo-N-phenylpentanamide
CID 45103866

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(4-fluorophenyl)pentane-1,3,5-trione?
The IUPAC name of 1-(2-chlorophenyl)-5-(4-fluorophenyl)pentane-1,3,5-trione (CID 10615548) is 1-(2-chlorophenyl)-5-(4-fluorophenyl)pentane-1,3,5-trione.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(4-fluorophenyl)pentane-1,3,5-trione?
The canonical SMILES for 1-(2-chlorophenyl)-5-(4-fluorophenyl)pentane-1,3,5-trione is O=C(CC(=O)c1ccc(F)cc1)CC(=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-(4-fluorophenyl)pentane-1,3,5-trione?
The InChIKey is QTFDSAFNICJKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFO3/c18-15-4-2-1-3-14(15)17(22)10-13(20)9-16(21)11-5-7-12(19)8-6-11/h1-8H,9-10H2.
What are the key properties of 1-(2-chlorophenyl)-5-(4-fluorophenyl)pentane-1,3,5-trione?
1-(2-chlorophenyl)-5-(4-fluorophenyl)pentane-1,3,5-trione has a molecular weight of 318.73 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(4-fluorophenyl)pentane-1,3,5-trione is sourced from PubChem (CID 10615548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).