3-(azetidin-1-yl)-2-fluoro-2-methylpropan-1-amine

C7H15FN2 — CID 84649098

IUPAC3-(azetidin-1-yl)-2-fluoro-2-methylpropan-1-amine
SMILESCC(F)(CN)CN1CCC1
InChIInChI=1S/C7H15FN2/c1-7(8,5-9)6-10-3-2-4-10/h2-6,9H2,1H3
InChIKeyDJTISFWHNVZLII-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.38
Rot. Bonds3

About 3-(azetidin-1-yl)-2-fluoro-2-methylpropan-1-amine

3-(azetidin-1-yl)-2-fluoro-2-methylpropan-1-amine (PubChem CID 84649098) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-2-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(azetidin-1-yl)-2-fluoro-2-methylpropan-1-amine
PubChem CID84649098
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name3-(azetidin-1-yl)-2-fluoro-2-methylpropan-1-amine
SMILESCC(F)(CN)CN1CCC1
InChIInChI=1S/C7H15FN2/c1-7(8,5-9)6-10-3-2-4-10/h2-6,9H2,1H3
InChIKeyDJTISFWHNVZLII-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-2-fluoro-2-methylpropan-1-amine?
The IUPAC name of 3-(azetidin-1-yl)-2-fluoro-2-methylpropan-1-amine (CID 84649098) is 3-(azetidin-1-yl)-2-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for 3-(azetidin-1-yl)-2-fluoro-2-methylpropan-1-amine?
The canonical SMILES for 3-(azetidin-1-yl)-2-fluoro-2-methylpropan-1-amine is CC(F)(CN)CN1CCC1.
What is the InChIKey of 3-(azetidin-1-yl)-2-fluoro-2-methylpropan-1-amine?
The InChIKey is DJTISFWHNVZLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-7(8,5-9)6-10-3-2-4-10/h2-6,9H2,1H3.
What are the key properties of 3-(azetidin-1-yl)-2-fluoro-2-methylpropan-1-amine?
3-(azetidin-1-yl)-2-fluoro-2-methylpropan-1-amine has a molecular weight of 146.21 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-2-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 84649098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).