1-(3-fluoroazetidin-3-yl)-N-methylmethanamine

C5H11FN2 — CID 166507463

IUPAC1-(3-fluoroazetidin-3-yl)-N-methylmethanamine
SMILESCNCC1(F)CNC1
InChIInChI=1S/C5H11FN2/c1-7-2-5(6)3-8-4-5/h7-8H,2-4H2,1H3
InChIKeyIGSQHNSXGCRMLV-UHFFFAOYSA-N
MW118.16 g/mol
LogP-0.48
Rot. Bonds2

About 1-(3-fluoroazetidin-3-yl)-N-methylmethanamine

1-(3-fluoroazetidin-3-yl)-N-methylmethanamine (PubChem CID 166507463) has the molecular formula C5H11FN2 and a molecular weight of 118.16 g/mol. Its IUPAC name is 1-(3-fluoroazetidin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-fluoroazetidin-3-yl)-N-methylmethanamine
PubChem CID166507463
Molecular FormulaC5H11FN2
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name1-(3-fluoroazetidin-3-yl)-N-methylmethanamine
SMILESCNCC1(F)CNC1
InChIInChI=1S/C5H11FN2/c1-7-2-5(6)3-8-4-5/h7-8H,2-4H2,1H3
InChIKeyIGSQHNSXGCRMLV-UHFFFAOYSA-N
XLogP-0.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroazetidin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-fluoroazetidin-3-yl)-N-methylmethanamine (CID 166507463) is 1-(3-fluoroazetidin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-fluoroazetidin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-fluoroazetidin-3-yl)-N-methylmethanamine is CNCC1(F)CNC1.
What is the InChIKey of 1-(3-fluoroazetidin-3-yl)-N-methylmethanamine?
The InChIKey is IGSQHNSXGCRMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2/c1-7-2-5(6)3-8-4-5/h7-8H,2-4H2,1H3.
What are the key properties of 1-(3-fluoroazetidin-3-yl)-N-methylmethanamine?
1-(3-fluoroazetidin-3-yl)-N-methylmethanamine has a molecular weight of 118.16 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroazetidin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 166507463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).