(1-ethyl-3-fluoroazetidin-3-yl)methanamine

C6H13FN2 — CID 163258288

IUPAC(1-ethyl-3-fluoroazetidin-3-yl)methanamine
SMILESCCN1CC(F)(CN)C1
InChIInChI=1S/C6H13FN2/c1-2-9-4-6(7,3-8)5-9/h2-5,8H2,1H3
InChIKeyGMSMUAFYNHRUMP-UHFFFAOYSA-N
MW132.18 g/mol
LogP-0.01
Rot. Bonds2

About (1-ethyl-3-fluoroazetidin-3-yl)methanamine

(1-ethyl-3-fluoroazetidin-3-yl)methanamine (PubChem CID 163258288) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is (1-ethyl-3-fluoroazetidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-3-fluoroazetidin-3-yl)methanamine
PubChem CID163258288
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name(1-ethyl-3-fluoroazetidin-3-yl)methanamine
SMILESCCN1CC(F)(CN)C1
InChIInChI=1S/C6H13FN2/c1-2-9-4-6(7,3-8)5-9/h2-5,8H2,1H3
InChIKeyGMSMUAFYNHRUMP-UHFFFAOYSA-N
XLogP-0.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-fluoroazetidin-3-yl)methanamine?
The IUPAC name of (1-ethyl-3-fluoroazetidin-3-yl)methanamine (CID 163258288) is (1-ethyl-3-fluoroazetidin-3-yl)methanamine.
What is the SMILES notation for (1-ethyl-3-fluoroazetidin-3-yl)methanamine?
The canonical SMILES for (1-ethyl-3-fluoroazetidin-3-yl)methanamine is CCN1CC(F)(CN)C1.
What is the InChIKey of (1-ethyl-3-fluoroazetidin-3-yl)methanamine?
The InChIKey is GMSMUAFYNHRUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c1-2-9-4-6(7,3-8)5-9/h2-5,8H2,1H3.
What are the key properties of (1-ethyl-3-fluoroazetidin-3-yl)methanamine?
(1-ethyl-3-fluoroazetidin-3-yl)methanamine has a molecular weight of 132.18 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-fluoroazetidin-3-yl)methanamine is sourced from PubChem (CID 163258288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).