2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one

C13H17FO2 — CID 116747607

IUPAC2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one
SMILESCCC(CC)(OC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H17FO2/c1-4-13(5-2,16-3)12(15)10-6-8-11(14)9-7-10/h6-9H,4-5H2,1-3H3
InChIKeyZXQMFNOLFFMXMG-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.21
Rot. Bonds5

About 2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one

2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one (PubChem CID 116747607) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one
PubChem CID116747607
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one
SMILESCCC(CC)(OC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H17FO2/c1-4-13(5-2,16-3)12(15)10-6-8-11(14)9-7-10/h6-9H,4-5H2,1-3H3
InChIKeyZXQMFNOLFFMXMG-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-ethyl-1-(4-fluorophenyl)butan-1-one
CID 116592648
2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-one
CID 116747615
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-2-methoxybutan-1-one
CID 116747641
ethyl 3-(4-fluorophenyl)-2,2-dihydroxy-3-oxopropanoate
CID 171482605
[(2S)-1-(4-fluorophenyl)-1-oxobutan-2-yl]azanium
CID 6940475
2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone
CID 10220288
2-(ethylamino)-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 116566054
2-ethoxy-2-ethyl-1-(4-methoxyphenyl)butan-1-one
CID 116747186
2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one
CID 116747491
2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 13113175
2,2-diamino-3-ethyl-1,4-bis(4-fluorophenyl)butane-1,4-dione
CID 141384133
2-ethyl-2-methoxy-1-(2-methylphenyl)butan-1-one
CID 116747572

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one?
The IUPAC name of 2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one (CID 116747607) is 2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one.
What is the SMILES notation for 2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one?
The canonical SMILES for 2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one is CCC(CC)(OC)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one?
The InChIKey is ZXQMFNOLFFMXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-4-13(5-2,16-3)12(15)10-6-8-11(14)9-7-10/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one?
2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one has a molecular weight of 224.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one is sourced from PubChem (CID 116747607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).