(3,3-difluoroazetidin-1-yl)-[2-[3-(ethylamino)propyl]pyrrolidin-1-yl]methanone

C13H23F2N3O — CID 123913294

IUPAC(3,3-difluoroazetidin-1-yl)-[2-[3-(ethylamino)propyl]pyrrolidin-1-yl]methanone
SMILESCCNCCCC1CCCN1C(=O)N1CC(F)(F)C1
InChIInChI=1S/C13H23F2N3O/c1-2-16-7-3-5-11-6-4-8-18(11)12(19)17-9-13(14,15)10-17/h11,16H,2-10H2,1H3
InChIKeyCAAIJFZQESCSHM-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.91
Rot. Bonds5

About (3,3-difluoroazetidin-1-yl)-[2-[3-(ethylamino)propyl]pyrrolidin-1-yl]methanone

(3,3-difluoroazetidin-1-yl)-[2-[3-(ethylamino)propyl]pyrrolidin-1-yl]methanone (PubChem CID 123913294) has the molecular formula C13H23F2N3O and a molecular weight of 275.34 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[2-[3-(ethylamino)propyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[2-[3-(ethylamino)propyl]pyrrolidin-1-yl]methanone
PubChem CID123913294
Molecular FormulaC13H23F2N3O
Molecular Weight275.34 g/mol
Exact Mass275.18
IUPAC Name(3,3-difluoroazetidin-1-yl)-[2-[3-(ethylamino)propyl]pyrrolidin-1-yl]methanone
SMILESCCNCCCC1CCCN1C(=O)N1CC(F)(F)C1
InChIInChI=1S/C13H23F2N3O/c1-2-16-7-3-5-11-6-4-8-18(11)12(19)17-9-13(14,15)10-17/h11,16H,2-10H2,1H3
InChIKeyCAAIJFZQESCSHM-UHFFFAOYSA-N
XLogP1.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-3,3-difluoropyrrolidine-1-carboxamide
CID 67991711
2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115608986
3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide
CID 118330204
N-[7-(2-fluoropropylamino)heptan-3-yl]pyrrolidine-1-carboxamide
CID 123555608
2-tert-butyl-N-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxamide
CID 155627074
(2S)-N-propan-2-yl-2-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 172528815
1-Heptan-2-yl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 60462529
N-[1-(2,2,2-Trifluoroethyl)pyrrolidin-3-YL]azetidine-1-carboxamide
CID 71935174
N-(4,4,4-trifluorobutan-2-yl)pyrrolidine-1-carboxamide
CID 104854735
1-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 104972301
1-[2-[(2S)-pyrrolidin-2-yl]ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 104972347
1-Methyl-1-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 106613164

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[2-[3-(ethylamino)propyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[2-[3-(ethylamino)propyl]pyrrolidin-1-yl]methanone (CID 123913294) is (3,3-difluoroazetidin-1-yl)-[2-[3-(ethylamino)propyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[2-[3-(ethylamino)propyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[2-[3-(ethylamino)propyl]pyrrolidin-1-yl]methanone is CCNCCCC1CCCN1C(=O)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[2-[3-(ethylamino)propyl]pyrrolidin-1-yl]methanone?
The InChIKey is CAAIJFZQESCSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N3O/c1-2-16-7-3-5-11-6-4-8-18(11)12(19)17-9-13(14,15)10-17/h11,16H,2-10H2,1H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[2-[3-(ethylamino)propyl]pyrrolidin-1-yl]methanone?
(3,3-difluoroazetidin-1-yl)-[2-[3-(ethylamino)propyl]pyrrolidin-1-yl]methanone has a molecular weight of 275.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-[2-[3-(ethylamino)propyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 123913294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).