2-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one

C11H21FN2O — CID 176601737

IUPAC2-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one
SMILESCC(C)N(CCF)CCC1NCCC1=O
InChIInChI=1S/C11H21FN2O/c1-9(2)14(8-5-12)7-4-10-11(15)3-6-13-10/h9-10,13H,3-8H2,1-2H3
InChIKeyOUAMKZUYJHXWTJ-UHFFFAOYSA-N
MW216.30 g/mol
LogP0.99
Rot. Bonds6

About 2-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one

2-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one (PubChem CID 176601737) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is 2-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one.

Molecular Properties

Compound Name2-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one
PubChem CID176601737
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name2-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one
SMILESCC(C)N(CCF)CCC1NCCC1=O
InChIInChI=1S/C11H21FN2O/c1-9(2)14(8-5-12)7-4-10-11(15)3-6-13-10/h9-10,13H,3-8H2,1-2H3
InChIKeyOUAMKZUYJHXWTJ-UHFFFAOYSA-N
XLogP0.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Fluoropyrrolidin-3-yl)-2-(propan-2-ylamino)ethanone
CID 146329193
2-[2-[Methyl(trifluoromethoxymethyl)amino]ethyl]pyrrolidin-3-one
CID 172334379
5-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-one
CID 172334509
2-[2-[Methyl-[2-(trifluoromethoxy)ethyl]amino]ethyl]pyrrolidin-3-one
CID 172334892
5-[2-[Methyl(trifluoromethyl)amino]ethyl]pyrrolidin-3-one
CID 172335138
2-[2-[Methyl(2,2,2-trifluoroethyl)amino]ethyl]pyrrolidin-3-one
CID 172335904
5-[2-[Methyl(2,2,2-trifluoroethyl)amino]ethyl]pyrrolidin-3-one
CID 172335946
5-[2-[2-Fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one
CID 176601132
4-Amino-6,6,6-trifluoro-1-pyrrolidin-1-ylhexan-3-one
CID 112482271
6-(Dimethylamino)-4-(2-oxopropylamino)hexan-3-one
CID 23544749
CID 58679892
CID 58679892
(4S,5S)-1,5-dimethyl-4-(methylamino)pyrrolidin-3-one
CID 59107737

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one?
The IUPAC name of 2-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one (CID 176601737) is 2-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one.
What is the SMILES notation for 2-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one?
The canonical SMILES for 2-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one is CC(C)N(CCF)CCC1NCCC1=O.
What is the InChIKey of 2-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one?
The InChIKey is OUAMKZUYJHXWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O/c1-9(2)14(8-5-12)7-4-10-11(15)3-6-13-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 2-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one?
2-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one has a molecular weight of 216.30 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidin-3-one is sourced from PubChem (CID 176601737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).