1-(azetidin-3-yl)-N-(fluoromethyl)methanamine

C5H11FN2 — CID 167049553

IUPAC1-(azetidin-3-yl)-N-(fluoromethyl)methanamine
SMILESFCNCC1CNC1
InChIInChI=1S/C5H11FN2/c6-4-8-3-5-1-7-2-5/h5,7-8H,1-4H2
InChIKeyKPGCFGILKSACBM-UHFFFAOYSA-N
MW118.16 g/mol
LogP-0.28
Rot. Bonds3

About 1-(azetidin-3-yl)-N-(fluoromethyl)methanamine

1-(azetidin-3-yl)-N-(fluoromethyl)methanamine (PubChem CID 167049553) has the molecular formula C5H11FN2 and a molecular weight of 118.16 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(fluoromethyl)methanamine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(fluoromethyl)methanamine
PubChem CID167049553
Molecular FormulaC5H11FN2
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name1-(azetidin-3-yl)-N-(fluoromethyl)methanamine
SMILESFCNCC1CNC1
InChIInChI=1S/C5H11FN2/c6-4-8-3-5-1-7-2-5/h5,7-8H,1-4H2
InChIKeyKPGCFGILKSACBM-UHFFFAOYSA-N
XLogP-0.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(fluoromethyl)methanamine?
The IUPAC name of 1-(azetidin-3-yl)-N-(fluoromethyl)methanamine (CID 167049553) is 1-(azetidin-3-yl)-N-(fluoromethyl)methanamine.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(fluoromethyl)methanamine?
The canonical SMILES for 1-(azetidin-3-yl)-N-(fluoromethyl)methanamine is FCNCC1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(fluoromethyl)methanamine?
The InChIKey is KPGCFGILKSACBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2/c6-4-8-3-5-1-7-2-5/h5,7-8H,1-4H2.
What are the key properties of 1-(azetidin-3-yl)-N-(fluoromethyl)methanamine?
1-(azetidin-3-yl)-N-(fluoromethyl)methanamine has a molecular weight of 118.16 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-(fluoromethyl)methanamine is sourced from PubChem (CID 167049553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).