2-(4-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine

C11H14FNO2 — CID 102605600

IUPAC2-(4-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine
SMILESNCC(OC1COC1)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c12-9-3-1-8(2-4-9)11(5-13)15-10-6-14-7-10/h1-4,10-11H,5-7,13H2
InChIKeyGQWKNQQIMCOZGO-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.24
Rot. Bonds4

About 2-(4-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine

2-(4-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine (PubChem CID 102605600) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine
PubChem CID102605600
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-(4-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine
SMILESNCC(OC1COC1)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c12-9-3-1-8(2-4-9)11(5-13)15-10-6-14-7-10/h1-4,10-11H,5-7,13H2
InChIKeyGQWKNQQIMCOZGO-UHFFFAOYSA-N
XLogP1.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine (CID 102605600) is 2-(4-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine is NCC(OC1COC1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine?
The InChIKey is GQWKNQQIMCOZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-9-3-1-8(2-4-9)11(5-13)15-10-6-14-7-10/h1-4,10-11H,5-7,13H2.
What are the key properties of 2-(4-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine?
2-(4-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine has a molecular weight of 211.24 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine is sourced from PubChem (CID 102605600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).