4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one

C16H20FNO2 — CID 104512277

IUPAC4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
SMILESCC(C)(C)C1CC(=O)N(CC(=O)c2ccccc2F)C1
InChIInChI=1S/C16H20FNO2/c1-16(2,3)11-8-15(20)18(9-11)10-14(19)12-6-4-5-7-13(12)17/h4-7,11H,8-10H2,1-3H3
InChIKeyMCFDXWUEWRISHK-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.90
Rot. Bonds3

About 4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one

4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one (PubChem CID 104512277) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
PubChem CID104512277
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
SMILESCC(C)(C)C1CC(=O)N(CC(=O)c2ccccc2F)C1
InChIInChI=1S/C16H20FNO2/c1-16(2,3)11-8-15(20)18(9-11)10-14(19)12-6-4-5-7-13(12)17/h4-7,11H,8-10H2,1-3H3
InChIKeyMCFDXWUEWRISHK-UHFFFAOYSA-N
XLogP2.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-1-[2-(2,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512276
4-tert-butyl-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512255
1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
CID 79506746
4-tert-butyl-1-(3-methoxy-2-oxopropyl)pyrrolidin-2-one
CID 107507877
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 103535755
4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one
CID 104512227
1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63104444
1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63102277
N-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide
CID 104510942
1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66393870
ethyl 4-(4-tert-butyl-2-oxopyrrolidin-1-yl)-3-oxobutanoate
CID 104512278
1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2422526

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one (CID 104512277) is 4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one is CC(C)(C)C1CC(=O)N(CC(=O)c2ccccc2F)C1.
What is the InChIKey of 4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is MCFDXWUEWRISHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-16(2,3)11-8-15(20)18(9-11)10-14(19)12-6-4-5-7-13(12)17/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one?
4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 277.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 104512277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).