1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone

C16H20FNO — CID 110871905

IUPAC1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCCC1C1CCC1
InChIInChI=1S/C16H20FNO/c17-14-8-6-12(7-9-14)11-16(19)18-10-2-5-15(18)13-3-1-4-13/h6-9,13,15H,1-5,10-11H2
InChIKeyWTKPYLZAYYKDDJ-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.16
Rot. Bonds3

About 1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone

1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 110871905) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
PubChem CID110871905
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCCC1C1CCC1
InChIInChI=1S/C16H20FNO/c17-14-8-6-12(7-9-14)11-16(19)18-10-2-5-15(18)13-3-1-4-13/h6-9,13,15H,1-5,10-11H2
InChIKeyWTKPYLZAYYKDDJ-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one
CID 136523441
2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone
CID 110871785
1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 16796004
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-nitrophenyl)ethanone
CID 73071668
(4aR,9aR)-1-[2-(4-fluorophenyl)acetyl]-5-methyl-2,3,4,4a,7,8,9,9a-octahydropyrido[3,2-b]azepin-6-one
CID 110124795
2-(3-fluorophenyl)-1-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone
CID 93394778
2-(3-fluorophenyl)-1-(2-piperidin-4-ylpyrrolidin-1-yl)ethanone
CID 60979358
1-[(4aR,8aR)-6-[2-(4-fluorophenyl)acetyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-2-(cyclohexen-1-yl)ethanone
CID 126466227
2-[4-(4-fluorophenoxy)phenyl]-1-(2-methylpyrrolidin-1-yl)ethanone
CID 170963359
N-[4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 58707786
1-[2-(chloromethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 63395198
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-(4-fluorophenyl)propan-2-one
CID 102727225

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone (CID 110871905) is 1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCCC1C1CCC1.
What is the InChIKey of 1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is WTKPYLZAYYKDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c17-14-8-6-12(7-9-14)11-16(19)18-10-2-5-15(18)13-3-1-4-13/h6-9,13,15H,1-5,10-11H2.
What are the key properties of 1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone?
1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 261.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 110871905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).