2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone

C13H15FO2 — CID 103162387

IUPAC2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(F)cc1C(=O)CC1CCC1
InChIInChI=1S/C13H15FO2/c1-16-13-6-5-10(14)8-11(13)12(15)7-9-3-2-4-9/h5-6,8-9H,2-4,7H2,1H3
InChIKeyCNLPXTGMPFHZEP-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.21
Rot. Bonds4

About 2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone

2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone (PubChem CID 103162387) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone
PubChem CID103162387
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(F)cc1C(=O)CC1CCC1
InChIInChI=1S/C13H15FO2/c1-16-13-6-5-10(14)8-11(13)12(15)7-9-3-2-4-9/h5-6,8-9H,2-4,7H2,1H3
InChIKeyCNLPXTGMPFHZEP-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone
CID 116583525
2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 66323732
2-[cyclopentyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43795234
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
4-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727272
1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutylethanone
CID 103162365
1-(5-fluoro-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43228143
1-(5-fluoro-2-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228410
2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
CID 114457285
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544
1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone
CID 116564241
1-(5-fluoro-2-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626411

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone (CID 103162387) is 2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone is COc1ccc(F)cc1C(=O)CC1CCC1.
What is the InChIKey of 2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is CNLPXTGMPFHZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-16-13-6-5-10(14)8-11(13)12(15)7-9-3-2-4-9/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone?
2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 222.26 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 103162387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).