4-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one

C8H13F3N2O2 — CID 63828105

IUPAC4-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(CCOCC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)5-15-2-1-13-4-6(12)3-7(13)14/h6H,1-5,12H2
InChIKeyKAYLIOZPRNSUBZ-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.12
Rot. Bonds4

About 4-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one

4-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one (PubChem CID 63828105) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 4-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one
PubChem CID63828105
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name4-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(CCOCC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)5-15-2-1-13-4-6(12)3-7(13)14/h6H,1-5,12H2
InChIKeyKAYLIOZPRNSUBZ-UHFFFAOYSA-N
XLogP0.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 125524158
1-(2-Ethoxyethyl)-3-(fluoroamino)pyrrolidine-2,5-dione
CID 59356241
N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
CID 156532686
2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanediamide
CID 55260694
1-Propyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione
CID 55260876
1-Cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione
CID 55260877
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 60401512
1-Pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one
CID 60734370
N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708431
N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide
CID 63827244
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
CID 63827248
3-Amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one
CID 63827712

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one (CID 63828105) is 4-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one is NC1CC(=O)N(CCOCC(F)(F)F)C1.
What is the InChIKey of 4-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one?
The InChIKey is KAYLIOZPRNSUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)5-15-2-1-13-4-6(12)3-7(13)14/h6H,1-5,12H2.
What are the key properties of 4-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one?
4-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one has a molecular weight of 226.20 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 63828105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).