1-[2-(azetidin-3-yl)ethyl]-3-fluoropyrrolidine

C9H17FN2 — CID 145259580

IUPAC1-[2-(azetidin-3-yl)ethyl]-3-fluoropyrrolidine
SMILESFC1CCN(CCC2CNC2)C1
InChIInChI=1S/C9H17FN2/c10-9-2-4-12(7-9)3-1-8-5-11-6-8/h8-9,11H,1-7H2
InChIKeyMAOYXEPTZQMLAI-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.64
Rot. Bonds3

About 1-[2-(azetidin-3-yl)ethyl]-3-fluoropyrrolidine

1-[2-(azetidin-3-yl)ethyl]-3-fluoropyrrolidine (PubChem CID 145259580) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)ethyl]-3-fluoropyrrolidine.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)ethyl]-3-fluoropyrrolidine
PubChem CID145259580
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name1-[2-(azetidin-3-yl)ethyl]-3-fluoropyrrolidine
SMILESFC1CCN(CCC2CNC2)C1
InChIInChI=1S/C9H17FN2/c10-9-2-4-12(7-9)3-1-8-5-11-6-8/h8-9,11H,1-7H2
InChIKeyMAOYXEPTZQMLAI-UHFFFAOYSA-N
XLogP0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoropyrrolidin-3-yl)methyl]butan-1-amine
CID 54444836
2-Fluoro-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 118527446
(3R)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine
CID 126573374
(3S)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine
CID 126580701
(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
1-(1-ethyl-4-fluoropyrrolidin-3-yl)-N-methylmethanamine
CID 130224953
3-[2-(3,3-Difluoroazetidin-1-yl)ethyl]pyrrolidine
CID 145259611
6-(2-Fluoroethyl)-2,6-diazaspiro[3.4]octane
CID 150414307
(3R)-1-(azetidin-3-ylmethyl)-3-fluoro-3-methylpyrrolidine
CID 163527271
1-[(3-Fluoroazetidin-3-yl)methyl]pyrrolidine
CID 166507687

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-3-fluoropyrrolidine?
The IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-3-fluoropyrrolidine (CID 145259580) is 1-[2-(azetidin-3-yl)ethyl]-3-fluoropyrrolidine.
What is the SMILES notation for 1-[2-(azetidin-3-yl)ethyl]-3-fluoropyrrolidine?
The canonical SMILES for 1-[2-(azetidin-3-yl)ethyl]-3-fluoropyrrolidine is FC1CCN(CCC2CNC2)C1.
What is the InChIKey of 1-[2-(azetidin-3-yl)ethyl]-3-fluoropyrrolidine?
The InChIKey is MAOYXEPTZQMLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c10-9-2-4-12(7-9)3-1-8-5-11-6-8/h8-9,11H,1-7H2.
What are the key properties of 1-[2-(azetidin-3-yl)ethyl]-3-fluoropyrrolidine?
1-[2-(azetidin-3-yl)ethyl]-3-fluoropyrrolidine has a molecular weight of 172.25 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)ethyl]-3-fluoropyrrolidine is sourced from PubChem (CID 145259580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).