1-butyl-3-fluoropyrrolidin-2-one

C8H14FNO — CID 45088613

IUPAC1-butyl-3-fluoropyrrolidin-2-one
SMILESCCCCN1CCC(F)C1=O
InChIInChI=1S/C8H14FNO/c1-2-3-5-10-6-4-7(9)8(10)11/h7H,2-6H2,1H3
InChIKeyNSOOZZURXTUGFD-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.36
Rot. Bonds3

About 1-butyl-3-fluoropyrrolidin-2-one

1-butyl-3-fluoropyrrolidin-2-one (PubChem CID 45088613) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 1-butyl-3-fluoropyrrolidin-2-one.

Molecular Properties

Compound Name1-butyl-3-fluoropyrrolidin-2-one
PubChem CID45088613
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name1-butyl-3-fluoropyrrolidin-2-one
SMILESCCCCN1CCC(F)C1=O
InChIInChI=1S/C8H14FNO/c1-2-3-5-10-6-4-7(9)8(10)11/h7H,2-6H2,1H3
InChIKeyNSOOZZURXTUGFD-UHFFFAOYSA-N
XLogP1.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-butyl-3-fluoropyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-3-propan-2-ylpyrrolidin-2-one
CID 139951375
3-hydroxy-1-pentylpyrrolidin-2-one
CID 117014185
1,3-dibutylimidazolidin-2-one
CID 20887
1-butyl-4-hydroxypiperidin-2-one
CID 117013970
3-dodecyl-1-propylpyrrolidin-2-one
CID 10149503
(1-butyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
CID 10672424
3-butyl-5-ethylimidazolidin-4-one
CID 83238020
1-(4-butyl-4-methylnonyl)-3-methylpyrrolidin-2-one
CID 167256372
1,4-dibutylpiperazine-2,5-dione
CID 19902955
3-(1,1-difluoroethyl)-1-propylpyrrolidin-2-one
CID 142372410
4-methyl-1-octylpiperidin-2-one
CID 139271548
1-butyl-3-propylpiperazine-2,5-dione
CID 64879982

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-fluoropyrrolidin-2-one?
The IUPAC name of 1-butyl-3-fluoropyrrolidin-2-one (CID 45088613) is 1-butyl-3-fluoropyrrolidin-2-one.
What is the SMILES notation for 1-butyl-3-fluoropyrrolidin-2-one?
The canonical SMILES for 1-butyl-3-fluoropyrrolidin-2-one is CCCCN1CCC(F)C1=O.
What is the InChIKey of 1-butyl-3-fluoropyrrolidin-2-one?
The InChIKey is NSOOZZURXTUGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-2-3-5-10-6-4-7(9)8(10)11/h7H,2-6H2,1H3.
What are the key properties of 1-butyl-3-fluoropyrrolidin-2-one?
1-butyl-3-fluoropyrrolidin-2-one has a molecular weight of 159.20 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-fluoropyrrolidin-2-one is sourced from PubChem (CID 45088613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).