3-fluoro-N-methyloxetan-3-amine

C4H8FNO — CID 67318981

IUPAC3-fluoro-N-methyloxetan-3-amine
SMILESCNC1(F)COC1
InChIInChI=1S/C4H8FNO/c1-6-4(5)2-7-3-4/h6H,2-3H2,1H3
InChIKeyQXAPWHSDCJSLNE-UHFFFAOYSA-N
MW105.11 g/mol
LogP-0.10
Rot. Bonds1

About 3-fluoro-N-methyloxetan-3-amine

3-fluoro-N-methyloxetan-3-amine (PubChem CID 67318981) has the molecular formula C4H8FNO and a molecular weight of 105.11 g/mol. Its IUPAC name is 3-fluoro-N-methyloxetan-3-amine.

Molecular Properties

Compound Name3-fluoro-N-methyloxetan-3-amine
PubChem CID67318981
Molecular FormulaC4H8FNO
Molecular Weight105.11 g/mol
Exact Mass105.06
IUPAC Name3-fluoro-N-methyloxetan-3-amine
SMILESCNC1(F)COC1
InChIInChI=1S/C4H8FNO/c1-6-4(5)2-7-3-4/h6H,2-3H2,1H3
InChIKeyQXAPWHSDCJSLNE-UHFFFAOYSA-N
XLogP-0.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.11
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
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 3-fluoro-N-methyloxetan-3-amine?
The IUPAC name of 3-fluoro-N-methyloxetan-3-amine (CID 67318981) is 3-fluoro-N-methyloxetan-3-amine.
What is the SMILES notation for 3-fluoro-N-methyloxetan-3-amine?
The canonical SMILES for 3-fluoro-N-methyloxetan-3-amine is CNC1(F)COC1.
What is the InChIKey of 3-fluoro-N-methyloxetan-3-amine?
The InChIKey is QXAPWHSDCJSLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO/c1-6-4(5)2-7-3-4/h6H,2-3H2,1H3.
What are the key properties of 3-fluoro-N-methyloxetan-3-amine?
3-fluoro-N-methyloxetan-3-amine has a molecular weight of 105.11 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyloxetan-3-amine is sourced from PubChem (CID 67318981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).