1-[4-(azetidin-3-yl)phenyl]-3-fluoropyrrolidine

C13H17FN2 — CID 175975320

IUPAC1-[4-(azetidin-3-yl)phenyl]-3-fluoropyrrolidine
SMILESFC1CCN(c2ccc(C3CNC3)cc2)C1
InChIInChI=1S/C13H17FN2/c14-12-5-6-16(9-12)13-3-1-10(2-4-13)11-7-15-8-11/h1-4,11-12,15H,5-9H2
InChIKeyFANKYWUDZHGGCF-UHFFFAOYSA-N
MW220.29 g/mol
LogP1.92
Rot. Bonds2

About 1-[4-(azetidin-3-yl)phenyl]-3-fluoropyrrolidine

1-[4-(azetidin-3-yl)phenyl]-3-fluoropyrrolidine (PubChem CID 175975320) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-[4-(azetidin-3-yl)phenyl]-3-fluoropyrrolidine.

Molecular Properties

Compound Name1-[4-(azetidin-3-yl)phenyl]-3-fluoropyrrolidine
PubChem CID175975320
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name1-[4-(azetidin-3-yl)phenyl]-3-fluoropyrrolidine
SMILESFC1CCN(c2ccc(C3CNC3)cc2)C1
InChIInChI=1S/C13H17FN2/c14-12-5-6-16(9-12)13-3-1-10(2-4-13)11-7-15-8-11/h1-4,11-12,15H,5-9H2
InChIKeyFANKYWUDZHGGCF-UHFFFAOYSA-N
XLogP1.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(azetidin-3-yl)phenyl]-3-fluoropyrrolidine?
The IUPAC name of 1-[4-(azetidin-3-yl)phenyl]-3-fluoropyrrolidine (CID 175975320) is 1-[4-(azetidin-3-yl)phenyl]-3-fluoropyrrolidine.
What is the SMILES notation for 1-[4-(azetidin-3-yl)phenyl]-3-fluoropyrrolidine?
The canonical SMILES for 1-[4-(azetidin-3-yl)phenyl]-3-fluoropyrrolidine is FC1CCN(c2ccc(C3CNC3)cc2)C1.
What is the InChIKey of 1-[4-(azetidin-3-yl)phenyl]-3-fluoropyrrolidine?
The InChIKey is FANKYWUDZHGGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c14-12-5-6-16(9-12)13-3-1-10(2-4-13)11-7-15-8-11/h1-4,11-12,15H,5-9H2.
What are the key properties of 1-[4-(azetidin-3-yl)phenyl]-3-fluoropyrrolidine?
1-[4-(azetidin-3-yl)phenyl]-3-fluoropyrrolidine has a molecular weight of 220.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azetidin-3-yl)phenyl]-3-fluoropyrrolidine is sourced from PubChem (CID 175975320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).