1-cyclobutyl-4-(4-fluorophenyl)butane-1,4-dione

C14H15FO2 — CID 125479846

IUPAC1-cyclobutyl-4-(4-fluorophenyl)butane-1,4-dione
SMILESO=C(CCC(=O)C1CCC1)c1ccc(F)cc1
InChIInChI=1S/C14H15FO2/c15-12-6-4-11(5-7-12)14(17)9-8-13(16)10-2-1-3-10/h4-7,10H,1-3,8-9H2
InChIKeyLHNXUFHUTFZOKH-UHFFFAOYSA-N
MW234.27 g/mol
LogP3.16
Rot. Bonds5

About 1-cyclobutyl-4-(4-fluorophenyl)butane-1,4-dione

1-cyclobutyl-4-(4-fluorophenyl)butane-1,4-dione (PubChem CID 125479846) has the molecular formula C14H15FO2 and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-cyclobutyl-4-(4-fluorophenyl)butane-1,4-dione.

Molecular Properties

Compound Name1-cyclobutyl-4-(4-fluorophenyl)butane-1,4-dione
PubChem CID125479846
Molecular FormulaC14H15FO2
Molecular Weight234.27 g/mol
Exact Mass234.11
IUPAC Name1-cyclobutyl-4-(4-fluorophenyl)butane-1,4-dione
SMILESO=C(CCC(=O)C1CCC1)c1ccc(F)cc1
InChIInChI=1S/C14H15FO2/c15-12-6-4-11(5-7-12)14(17)9-8-13(16)10-2-1-3-10/h4-7,10H,1-3,8-9H2
InChIKeyLHNXUFHUTFZOKH-UHFFFAOYSA-N
XLogP3.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(4-fluorophenyl)propan-1-one
CID 18507946
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 104967925
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
1-[2-(aminomethyl)piperidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione;hydrochloride
CID 119468463
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-one
CID 43793238
1-(4-fluorophenyl)-4-methylpent-4-en-1-one
CID 70328582
1-(4-fluorophenyl)-3-(oxan-4-ylsulfanyl)propan-1-one
CID 62997340
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione
CID 119633314
N-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 119620648
1-[4-(4-fluorophenyl)-4-oxobutanoyl]-N-methylpiperidine-2-carboxamide
CID 91792309
3-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid
CID 53436276

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-(4-fluorophenyl)butane-1,4-dione?
The IUPAC name of 1-cyclobutyl-4-(4-fluorophenyl)butane-1,4-dione (CID 125479846) is 1-cyclobutyl-4-(4-fluorophenyl)butane-1,4-dione.
What is the SMILES notation for 1-cyclobutyl-4-(4-fluorophenyl)butane-1,4-dione?
The canonical SMILES for 1-cyclobutyl-4-(4-fluorophenyl)butane-1,4-dione is O=C(CCC(=O)C1CCC1)c1ccc(F)cc1.
What is the InChIKey of 1-cyclobutyl-4-(4-fluorophenyl)butane-1,4-dione?
The InChIKey is LHNXUFHUTFZOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO2/c15-12-6-4-11(5-7-12)14(17)9-8-13(16)10-2-1-3-10/h4-7,10H,1-3,8-9H2.
What are the key properties of 1-cyclobutyl-4-(4-fluorophenyl)butane-1,4-dione?
1-cyclobutyl-4-(4-fluorophenyl)butane-1,4-dione has a molecular weight of 234.27 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-(4-fluorophenyl)butane-1,4-dione is sourced from PubChem (CID 125479846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).