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

C8H13F3N2O2 — CID 63827712

IUPAC3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one
SMILESNC1CCN(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)5-15-4-3-13-2-1-6(12)7(13)14/h6H,1-5,12H2
InChIKeyPHTWOIMXYNQMFI-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.12
Rot. Bonds4

About 3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one

3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one (PubChem CID 63827712) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one
PubChem CID63827712
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one
SMILESNC1CCN(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)5-15-4-3-13-2-1-6(12)7(13)14/h6H,1-5,12H2
InChIKeyPHTWOIMXYNQMFI-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

3-Morpholino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 91623574
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
4-(3,3-Difluoropyrrolidin-1-yl)-2-formamidobutanamide
CID 175824282
(2R)-2-amino-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 178127033
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
N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide
CID 60730883
1-Pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one
CID 60734370
1-Pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone
CID 63826641
2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
CID 63827238

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one?
The IUPAC name of 3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one (CID 63827712) is 3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one is NC1CCN(CCOCC(F)(F)F)C1=O.
What is the InChIKey of 3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one?
The InChIKey is PHTWOIMXYNQMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)5-15-4-3-13-2-1-6(12)7(13)14/h6H,1-5,12H2.
What are the key properties of 3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one?
3-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 3-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 63827712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).