3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine

C9H16F2N2 — CID 145259611

IUPAC3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine
SMILESFC1(F)CN(CCC2CCNC2)C1
InChIInChI=1S/C9H16F2N2/c10-9(11)6-13(7-9)4-2-8-1-3-12-5-8/h8,12H,1-7H2
InChIKeyPMPPOPGPYJAKPT-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.94
Rot. Bonds3

About 3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine

3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine (PubChem CID 145259611) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine
PubChem CID145259611
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine
SMILESFC1(F)CN(CCC2CCNC2)C1
InChIInChI=1S/C9H16F2N2/c10-9(11)6-13(7-9)4-2-8-1-3-12-5-8/h8,12H,1-7H2
InChIKeyPMPPOPGPYJAKPT-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine 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

4-[(3,3-Difluoropyrrolidin-1-yl)methyl]piperidine
CID 68643611
(3R)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine
CID 126573374
(3S)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine
CID 126580701
3-[2-(Azetidin-3-yl)ethyl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane
CID 126580746
(3R)-1-[2-(azetidin-3-yl)ethyl]-3-fluoropyrrolidine
CID 126580751
(3S)-1-[2-(azetidin-3-yl)ethyl]-3-fluoropyrrolidine
CID 126580752
1-[2-(Azetidin-3-yl)ethyl]-3,3-difluoropyrrolidine
CID 126580777
(1S,5R)-6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 126591137
6-[(3,3-Difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 140853702
1-[2-(Azetidin-3-yl)ethyl]-3-fluoropyrrolidine
CID 145259580
3-[1-[3-(2,2-Dimethylpropyl)-3-fluoroazetidin-1-yl]-2-methylpropan-2-yl]-4-fluoropyrrolidine
CID 167077323
3,3-Difluoro-7-methyl-1,7-diazaspiro[3.4]octane;ethane
CID 170572077

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine?
The IUPAC name of 3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine (CID 145259611) is 3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine.
What is the SMILES notation for 3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine?
The canonical SMILES for 3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine is FC1(F)CN(CCC2CCNC2)C1.
What is the InChIKey of 3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine?
The InChIKey is PMPPOPGPYJAKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c10-9(11)6-13(7-9)4-2-8-1-3-12-5-8/h8,12H,1-7H2.
What are the key properties of 3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine?
3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine has a molecular weight of 190.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine is sourced from PubChem (CID 145259611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).