2-fluoro-2-(1-methylazetidin-3-yl)ethanamine

C6H13FN2 — CID 105427683

IUPAC2-fluoro-2-(1-methylazetidin-3-yl)ethanamine
SMILESCN1CC(C(F)CN)C1
InChIInChI=1S/C6H13FN2/c1-9-3-5(4-9)6(7)2-8/h5-6H,2-4,8H2,1H3
InChIKeyUSTZLQXDRDZWQI-UHFFFAOYSA-N
MW132.18 g/mol
LogP-0.16
Rot. Bonds2

About 2-fluoro-2-(1-methylazetidin-3-yl)ethanamine

2-fluoro-2-(1-methylazetidin-3-yl)ethanamine (PubChem CID 105427683) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is 2-fluoro-2-(1-methylazetidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-fluoro-2-(1-methylazetidin-3-yl)ethanamine
PubChem CID105427683
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name2-fluoro-2-(1-methylazetidin-3-yl)ethanamine
SMILESCN1CC(C(F)CN)C1
InChIInChI=1S/C6H13FN2/c1-9-3-5(4-9)6(7)2-8/h5-6H,2-4,8H2,1H3
InChIKeyUSTZLQXDRDZWQI-UHFFFAOYSA-N
XLogP-0.16
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 ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1-methylazetidin-3-yl)ethanamine?
The IUPAC name of 2-fluoro-2-(1-methylazetidin-3-yl)ethanamine (CID 105427683) is 2-fluoro-2-(1-methylazetidin-3-yl)ethanamine.
What is the SMILES notation for 2-fluoro-2-(1-methylazetidin-3-yl)ethanamine?
The canonical SMILES for 2-fluoro-2-(1-methylazetidin-3-yl)ethanamine is CN1CC(C(F)CN)C1.
What is the InChIKey of 2-fluoro-2-(1-methylazetidin-3-yl)ethanamine?
The InChIKey is USTZLQXDRDZWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c1-9-3-5(4-9)6(7)2-8/h5-6H,2-4,8H2,1H3.
What are the key properties of 2-fluoro-2-(1-methylazetidin-3-yl)ethanamine?
2-fluoro-2-(1-methylazetidin-3-yl)ethanamine has a molecular weight of 132.18 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-methylazetidin-3-yl)ethanamine is sourced from PubChem (CID 105427683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).