2-ethoxy-N-[[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl]ethanamine

C10H20FNO2 — CID 163758359

IUPAC2-ethoxy-N-[[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl]ethanamine
SMILESCCOCCNC[C@@H]1C[C@H](F)[C@H](C)O1
InChIInChI=1S/C10H20FNO2/c1-3-13-5-4-12-7-9-6-10(11)8(2)14-9/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyLWALXDIKNJVGBB-GUBZILKMSA-N
MW205.27 g/mol
LogP1.13
Rot. Bonds6

About 2-ethoxy-N-[[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl]ethanamine

2-ethoxy-N-[[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl]ethanamine (PubChem CID 163758359) has the molecular formula C10H20FNO2 and a molecular weight of 205.27 g/mol. Its IUPAC name is 2-ethoxy-N-[[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl]ethanamine
PubChem CID163758359
Molecular FormulaC10H20FNO2
Molecular Weight205.27 g/mol
Exact Mass205.15
IUPAC Name2-ethoxy-N-[[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl]ethanamine
SMILESCCOCCNC[C@@H]1C[C@H](F)[C@H](C)O1
InChIInChI=1S/C10H20FNO2/c1-3-13-5-4-12-7-9-6-10(11)8(2)14-9/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyLWALXDIKNJVGBB-GUBZILKMSA-N
XLogP1.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl]ethanamine (CID 163758359) is 2-ethoxy-N-[[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl]ethanamine is CCOCCNC[C@@H]1C[C@H](F)[C@H](C)O1.
What is the InChIKey of 2-ethoxy-N-[[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl]ethanamine?
The InChIKey is LWALXDIKNJVGBB-GUBZILKMSA-N. The full InChI is InChI=1S/C10H20FNO2/c1-3-13-5-4-12-7-9-6-10(11)8(2)14-9/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-/m0/s1.
What are the key properties of 2-ethoxy-N-[[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl]ethanamine?
2-ethoxy-N-[[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl]ethanamine has a molecular weight of 205.27 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 163758359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).