(3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine

C8H15FN2 — CID 166507837

IUPAC(3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine
SMILESF[C@@H]1CCN(CC2CNC2)C1
InChIInChI=1S/C8H15FN2/c9-8-1-2-11(6-8)5-7-3-10-4-7/h7-8,10H,1-6H2/t8-/m1/s1
InChIKeyPIHKEPOVUXYFSL-MRVPVSSYSA-N
MW158.22 g/mol
LogP0.25
Rot. Bonds2

About (3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine

(3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine (PubChem CID 166507837) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is (3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name(3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine
PubChem CID166507837
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine
SMILESF[C@@H]1CCN(CC2CNC2)C1
InChIInChI=1S/C8H15FN2/c9-8-1-2-11(6-8)5-7-3-10-4-7/h7-8,10H,1-6H2/t8-/m1/s1
InChIKeyPIHKEPOVUXYFSL-MRVPVSSYSA-N
XLogP0.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine
CID 134177865
1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine
CID 170022732
3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine
CID 164657937
1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]-3-fluoropiperidine
CID 166940552
(3aS,7aS)-5-(cyclopropylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 124910290
1-(cyclopropylmethyl)-3-fluoroazetidine
CID 131037044
1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclohexane
CID 157039213
1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane
CID 176984836
5-(azetidin-3-ylmethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 162741770
4-(azetidin-3-ylmethyl)morpholine
CID 66596271
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
CID 63169624
potassium 3-fluoro-1-(piperidin-1-id-4-ylmethyl)piperidine
CID 176562157

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine?
The IUPAC name of (3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine (CID 166507837) is (3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine.
What is the SMILES notation for (3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine?
The canonical SMILES for (3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine is F[C@@H]1CCN(CC2CNC2)C1.
What is the InChIKey of (3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine?
The InChIKey is PIHKEPOVUXYFSL-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15FN2/c9-8-1-2-11(6-8)5-7-3-10-4-7/h7-8,10H,1-6H2/t8-/m1/s1.
What are the key properties of (3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine?
(3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine has a molecular weight of 158.22 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine is sourced from PubChem (CID 166507837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).