2-ethyl-1-(3-fluoro-4-methylphenyl)-2-pyrrolidin-1-ylbutan-1-one

C17H24FNO — CID 107128353

IUPAC2-ethyl-1-(3-fluoro-4-methylphenyl)-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(CC)(C(=O)c1ccc(C)c(F)c1)N1CCCC1
InChIInChI=1S/C17H24FNO/c1-4-17(5-2,19-10-6-7-11-19)16(20)14-9-8-13(3)15(18)12-14/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyUXPCXWVUDBPJGQ-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.97
Rot. Bonds5

About 2-ethyl-1-(3-fluoro-4-methylphenyl)-2-pyrrolidin-1-ylbutan-1-one

2-ethyl-1-(3-fluoro-4-methylphenyl)-2-pyrrolidin-1-ylbutan-1-one (PubChem CID 107128353) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 2-ethyl-1-(3-fluoro-4-methylphenyl)-2-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(3-fluoro-4-methylphenyl)-2-pyrrolidin-1-ylbutan-1-one
PubChem CID107128353
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name2-ethyl-1-(3-fluoro-4-methylphenyl)-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(CC)(C(=O)c1ccc(C)c(F)c1)N1CCCC1
InChIInChI=1S/C17H24FNO/c1-4-17(5-2,19-10-6-7-11-19)16(20)14-9-8-13(3)15(18)12-14/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyUXPCXWVUDBPJGQ-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-ethyl-1-(2-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one
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2-(diethylamino)-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one
CID 107128345
3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide
CID 62517240
2-ethyl-1-(1-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-one
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2-ethyl-1-(4-methoxyphenyl)-2-piperidin-1-ylpent-4-en-1-one
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2-(azocan-1-yl)-2-ethylbutanoic acid
CID 82238451
2-ethyl-1-(3-ethyltriazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one
CID 114213074

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-fluoro-4-methylphenyl)-2-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 2-ethyl-1-(3-fluoro-4-methylphenyl)-2-pyrrolidin-1-ylbutan-1-one (CID 107128353) is 2-ethyl-1-(3-fluoro-4-methylphenyl)-2-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 2-ethyl-1-(3-fluoro-4-methylphenyl)-2-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 2-ethyl-1-(3-fluoro-4-methylphenyl)-2-pyrrolidin-1-ylbutan-1-one is CCC(CC)(C(=O)c1ccc(C)c(F)c1)N1CCCC1.
What is the InChIKey of 2-ethyl-1-(3-fluoro-4-methylphenyl)-2-pyrrolidin-1-ylbutan-1-one?
The InChIKey is UXPCXWVUDBPJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-4-17(5-2,19-10-6-7-11-19)16(20)14-9-8-13(3)15(18)12-14/h8-9,12H,4-7,10-11H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-fluoro-4-methylphenyl)-2-pyrrolidin-1-ylbutan-1-one?
2-ethyl-1-(3-fluoro-4-methylphenyl)-2-pyrrolidin-1-ylbutan-1-one has a molecular weight of 277.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-fluoro-4-methylphenyl)-2-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 107128353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).