(3-fluoro-1-methylazetidin-3-yl)methanamine

C5H11FN2 — CID 118185504

IUPAC(3-fluoro-1-methylazetidin-3-yl)methanamine
SMILESCN1CC(F)(CN)C1
InChIInChI=1S/C5H11FN2/c1-8-3-5(6,2-7)4-8/h2-4,7H2,1H3
InChIKeyODIIIAWBIBUYHT-UHFFFAOYSA-N
MW118.16 g/mol
LogP-0.40
Rot. Bonds1

About (3-fluoro-1-methylazetidin-3-yl)methanamine

(3-fluoro-1-methylazetidin-3-yl)methanamine (PubChem CID 118185504) has the molecular formula C5H11FN2 and a molecular weight of 118.16 g/mol. Its IUPAC name is (3-fluoro-1-methylazetidin-3-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-1-methylazetidin-3-yl)methanamine
PubChem CID118185504
Molecular FormulaC5H11FN2
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name(3-fluoro-1-methylazetidin-3-yl)methanamine
SMILESCN1CC(F)(CN)C1
InChIInChI=1S/C5H11FN2/c1-8-3-5(6,2-7)4-8/h2-4,7H2,1H3
InChIKeyODIIIAWBIBUYHT-UHFFFAOYSA-N
XLogP-0.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1-methylazetidin-3-yl)methanamine?
The IUPAC name of (3-fluoro-1-methylazetidin-3-yl)methanamine (CID 118185504) is (3-fluoro-1-methylazetidin-3-yl)methanamine.
What is the SMILES notation for (3-fluoro-1-methylazetidin-3-yl)methanamine?
The canonical SMILES for (3-fluoro-1-methylazetidin-3-yl)methanamine is CN1CC(F)(CN)C1.
What is the InChIKey of (3-fluoro-1-methylazetidin-3-yl)methanamine?
The InChIKey is ODIIIAWBIBUYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2/c1-8-3-5(6,2-7)4-8/h2-4,7H2,1H3.
What are the key properties of (3-fluoro-1-methylazetidin-3-yl)methanamine?
(3-fluoro-1-methylazetidin-3-yl)methanamine has a molecular weight of 118.16 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-1-methylazetidin-3-yl)methanamine is sourced from PubChem (CID 118185504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).