1-(3-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one

C15H20FNO — CID 79069623

IUPAC1-(3-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(C)(C(=O)c1cccc(F)c1)N1CCCC1
InChIInChI=1S/C15H20FNO/c1-3-15(2,17-9-4-5-10-17)14(18)12-7-6-8-13(16)11-12/h6-8,11H,3-5,9-10H2,1-2H3
InChIKeySCEABKIDXFHZMH-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.27
Rot. Bonds4

About 1-(3-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one

1-(3-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one (PubChem CID 79069623) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
PubChem CID79069623
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-(3-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(C)(C(=O)c1cccc(F)c1)N1CCCC1
InChIInChI=1S/C15H20FNO/c1-3-15(2,17-9-4-5-10-17)14(18)12-7-6-8-13(16)11-12/h6-8,11H,3-5,9-10H2,1-2H3
InChIKeySCEABKIDXFHZMH-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79069554
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 79065201
1-(3,4-dimethoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79058805
1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79044890
1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599252
1-(2,5-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79069321
2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one
CID 79059853
1-(4-ethoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79069392
1-(3-fluoro-5-methylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 79705373
1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 79060041
2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one
CID 63409962
3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid
CID 114873020

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 1-(3-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one (CID 79069623) is 1-(3-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 1-(3-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 1-(3-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one is CCC(C)(C(=O)c1cccc(F)c1)N1CCCC1.
What is the InChIKey of 1-(3-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one?
The InChIKey is SCEABKIDXFHZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-3-15(2,17-9-4-5-10-17)14(18)12-7-6-8-13(16)11-12/h6-8,11H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one?
1-(3-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one has a molecular weight of 249.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 79069623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).