2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine

C8H16FNO2 — CID 104760680

IUPAC2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
SMILESCOC1(CNCCF)CCOC1
InChIInChI=1S/C8H16FNO2/c1-11-8(2-5-12-7-8)6-10-4-3-9/h10H,2-7H2,1H3
InChIKeyRWZGOQNGBSJYOL-UHFFFAOYSA-N
MW177.22 g/mol
LogP0.35
Rot. Bonds5

About 2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine

2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine (PubChem CID 104760680) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is 2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
PubChem CID104760680
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
SMILESCOC1(CNCCF)CCOC1
InChIInChI=1S/C8H16FNO2/c1-11-8(2-5-12-7-8)6-10-4-3-9/h10H,2-7H2,1H3
InChIKeyRWZGOQNGBSJYOL-UHFFFAOYSA-N
XLogP0.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.35
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-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The IUPAC name of 2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine (CID 104760680) is 2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The canonical SMILES for 2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine is COC1(CNCCF)CCOC1.
What is the InChIKey of 2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The InChIKey is RWZGOQNGBSJYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-11-8(2-5-12-7-8)6-10-4-3-9/h10H,2-7H2,1H3.
What are the key properties of 2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine has a molecular weight of 177.22 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 104760680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).