3-fluoro-3-(1-methylazetidin-3-yl)propan-1-amine

C7H15FN2 — CID 105428954

IUPAC3-fluoro-3-(1-methylazetidin-3-yl)propan-1-amine
SMILESCN1CC(C(F)CCN)C1
InChIInChI=1S/C7H15FN2/c1-10-4-6(5-10)7(8)2-3-9/h6-7H,2-5,9H2,1H3
InChIKeyOLJAEZYQTTVFAN-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.23
Rot. Bonds3

About 3-fluoro-3-(1-methylazetidin-3-yl)propan-1-amine

3-fluoro-3-(1-methylazetidin-3-yl)propan-1-amine (PubChem CID 105428954) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 3-fluoro-3-(1-methylazetidin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(1-methylazetidin-3-yl)propan-1-amine
PubChem CID105428954
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name3-fluoro-3-(1-methylazetidin-3-yl)propan-1-amine
SMILESCN1CC(C(F)CCN)C1
InChIInChI=1S/C7H15FN2/c1-10-4-6(5-10)7(8)2-3-9/h6-7H,2-5,9H2,1H3
InChIKeyOLJAEZYQTTVFAN-UHFFFAOYSA-N
XLogP0.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(1-methylazetidin-3-yl)propan-1-amine?
The IUPAC name of 3-fluoro-3-(1-methylazetidin-3-yl)propan-1-amine (CID 105428954) is 3-fluoro-3-(1-methylazetidin-3-yl)propan-1-amine.
What is the SMILES notation for 3-fluoro-3-(1-methylazetidin-3-yl)propan-1-amine?
The canonical SMILES for 3-fluoro-3-(1-methylazetidin-3-yl)propan-1-amine is CN1CC(C(F)CCN)C1.
What is the InChIKey of 3-fluoro-3-(1-methylazetidin-3-yl)propan-1-amine?
The InChIKey is OLJAEZYQTTVFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-10-4-6(5-10)7(8)2-3-9/h6-7H,2-5,9H2,1H3.
What are the key properties of 3-fluoro-3-(1-methylazetidin-3-yl)propan-1-amine?
3-fluoro-3-(1-methylazetidin-3-yl)propan-1-amine has a molecular weight of 146.21 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(1-methylazetidin-3-yl)propan-1-amine is sourced from PubChem (CID 105428954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).