4-(3-fluoroazetidin-3-yl)isoquinoline

C12H11FN2 — CID 112563365

IUPAC4-(3-fluoroazetidin-3-yl)isoquinoline
SMILESFC1(c2cncc3ccccc23)CNC1
InChIInChI=1S/C12H11FN2/c13-12(7-15-8-12)11-6-14-5-9-3-1-2-4-10(9)11/h1-6,15H,7-8H2
InChIKeyBVGLWEJMIBNVIK-UHFFFAOYSA-N
MW202.23 g/mol
LogP2.00
Rot. Bonds1

About 4-(3-fluoroazetidin-3-yl)isoquinoline

4-(3-fluoroazetidin-3-yl)isoquinoline (PubChem CID 112563365) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 4-(3-fluoroazetidin-3-yl)isoquinoline.

Molecular Properties

Compound Name4-(3-fluoroazetidin-3-yl)isoquinoline
PubChem CID112563365
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name4-(3-fluoroazetidin-3-yl)isoquinoline
SMILESFC1(c2cncc3ccccc23)CNC1
InChIInChI=1S/C12H11FN2/c13-12(7-15-8-12)11-6-14-5-9-3-1-2-4-10(9)11/h1-6,15H,7-8H2
InChIKeyBVGLWEJMIBNVIK-UHFFFAOYSA-N
XLogP2.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroazetidin-3-yl)isoquinoline?
The IUPAC name of 4-(3-fluoroazetidin-3-yl)isoquinoline (CID 112563365) is 4-(3-fluoroazetidin-3-yl)isoquinoline.
What is the SMILES notation for 4-(3-fluoroazetidin-3-yl)isoquinoline?
The canonical SMILES for 4-(3-fluoroazetidin-3-yl)isoquinoline is FC1(c2cncc3ccccc23)CNC1.
What is the InChIKey of 4-(3-fluoroazetidin-3-yl)isoquinoline?
The InChIKey is BVGLWEJMIBNVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2/c13-12(7-15-8-12)11-6-14-5-9-3-1-2-4-10(9)11/h1-6,15H,7-8H2.
What are the key properties of 4-(3-fluoroazetidin-3-yl)isoquinoline?
4-(3-fluoroazetidin-3-yl)isoquinoline has a molecular weight of 202.23 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroazetidin-3-yl)isoquinoline is sourced from PubChem (CID 112563365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).