1-(2-fluorophenyl)pentane-1,3-dione

C11H11FO2 — CID 28896114

IUPAC1-(2-fluorophenyl)pentane-1,3-dione
SMILESCCC(=O)CC(=O)c1ccccc1F
InChIInChI=1S/C11H11FO2/c1-2-8(13)7-11(14)9-5-3-4-6-10(9)12/h3-6H,2,7H2,1H3
InChIKeyUMNZPFQNLZECIG-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.38
Rot. Bonds4

About 1-(2-fluorophenyl)pentane-1,3-dione

1-(2-fluorophenyl)pentane-1,3-dione (PubChem CID 28896114) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is 1-(2-fluorophenyl)pentane-1,3-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)pentane-1,3-dione
PubChem CID28896114
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name1-(2-fluorophenyl)pentane-1,3-dione
SMILESCCC(=O)CC(=O)c1ccccc1F
InChIInChI=1S/C11H11FO2/c1-2-8(13)7-11(14)9-5-3-4-6-10(9)12/h3-6H,2,7H2,1H3
InChIKeyUMNZPFQNLZECIG-UHFFFAOYSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)octane-1,3-dione
CID 43138821
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4-(2-fluorophenyl)-2,4-dioxobutanoic acid
CID 23090222
1-(2-ethoxyphenyl)pentane-1,3-dione
CID 28896176
1-(2-fluorophenyl)-4,4-dimethoxybutane-1,3-dione
CID 62744150
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
N-butyl-4-(2-fluorophenyl)-4-oxobutanamide
CID 110406683
2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 62037419
2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone
CID 55181131
1-(2-fluorophenyl)-3-propoxypropan-1-one
CID 105085598
3-amino-1-(2-fluorophenyl)butan-1-one
CID 81462850
(2-ethylphenyl)-(2-fluorophenyl)methanone
CID 83393999

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)pentane-1,3-dione?
The IUPAC name of 1-(2-fluorophenyl)pentane-1,3-dione (CID 28896114) is 1-(2-fluorophenyl)pentane-1,3-dione.
What is the SMILES notation for 1-(2-fluorophenyl)pentane-1,3-dione?
The canonical SMILES for 1-(2-fluorophenyl)pentane-1,3-dione is CCC(=O)CC(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)pentane-1,3-dione?
The InChIKey is UMNZPFQNLZECIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-2-8(13)7-11(14)9-5-3-4-6-10(9)12/h3-6H,2,7H2,1H3.
What are the key properties of 1-(2-fluorophenyl)pentane-1,3-dione?
1-(2-fluorophenyl)pentane-1,3-dione has a molecular weight of 194.21 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)pentane-1,3-dione is sourced from PubChem (CID 28896114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).