1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one

C15H19FO2 — CID 106203288

IUPAC1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one
SMILESO=C(COCCC1CCC1)Cc1ccccc1F
InChIInChI=1S/C15H19FO2/c16-15-7-2-1-6-13(15)10-14(17)11-18-9-8-12-4-3-5-12/h1-2,6-7,12H,3-5,8-11H2
InChIKeyZFARNIPRUSCNSZ-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.14
Rot. Bonds7

About 1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one

1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one (PubChem CID 106203288) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one
PubChem CID106203288
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one
SMILESO=C(COCCC1CCC1)Cc1ccccc1F
InChIInChI=1S/C15H19FO2/c16-15-7-2-1-6-13(15)10-14(17)11-18-9-8-12-4-3-5-12/h1-2,6-7,12H,3-5,8-11H2
InChIKeyZFARNIPRUSCNSZ-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one
CID 43799215
1-cyclobutyl-3-(2-fluorophenyl)propan-2-one
CID 65457629
1-(2-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-one
CID 112588325
1-cyclohexyl-3-(2-fluorophenyl)propan-2-one
CID 61078076
1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one
CID 61071400
1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one
CID 43798579
1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one
CID 62031771
1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one
CID 43798706
1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one
CID 43800867
2-(2-cyclobutylethoxymethyl)benzoic acid
CID 106199375
1-(cyclobutylmethyl)-2-fluorobenzene
CID 89050192
1-(2-fluorophenyl)-3-phenoxypropan-2-one
CID 43799913

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one?
The IUPAC name of 1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one (CID 106203288) is 1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one is O=C(COCCC1CCC1)Cc1ccccc1F.
What is the InChIKey of 1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one?
The InChIKey is ZFARNIPRUSCNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c16-15-7-2-1-6-13(15)10-14(17)11-18-9-8-12-4-3-5-12/h1-2,6-7,12H,3-5,8-11H2.
What are the key properties of 1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one?
1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one has a molecular weight of 250.31 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one is sourced from PubChem (CID 106203288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).