[2-(2-methoxyethoxyamino)phenyl] hypofluorite

C9H12FNO3 — CID 172812867

IUPAC[2-(2-methoxyethoxyamino)phenyl] hypofluorite
SMILESCOCCONc1ccccc1OF
InChIInChI=1S/C9H12FNO3/c1-12-6-7-13-11-8-4-2-3-5-9(8)14-10/h2-5,11H,6-7H2,1H3
InChIKeySKOGMVSPZHOGPW-UHFFFAOYSA-N
MW201.20 g/mol
LogP1.94
Rot. Bonds6

About [2-(2-methoxyethoxyamino)phenyl] hypofluorite

[2-(2-methoxyethoxyamino)phenyl] hypofluorite (PubChem CID 172812867) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is [2-(2-methoxyethoxyamino)phenyl] hypofluorite.

Molecular Properties

Compound Name[2-(2-methoxyethoxyamino)phenyl] hypofluorite
PubChem CID172812867
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Name[2-(2-methoxyethoxyamino)phenyl] hypofluorite
SMILESCOCCONc1ccccc1OF
InChIInChI=1S/C9H12FNO3/c1-12-6-7-13-11-8-4-2-3-5-9(8)14-10/h2-5,11H,6-7H2,1H3
InChIKeySKOGMVSPZHOGPW-UHFFFAOYSA-N
XLogP1.94
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethoxyamino)phenyl] hypofluorite?
The IUPAC name of [2-(2-methoxyethoxyamino)phenyl] hypofluorite (CID 172812867) is [2-(2-methoxyethoxyamino)phenyl] hypofluorite.
What is the SMILES notation for [2-(2-methoxyethoxyamino)phenyl] hypofluorite?
The canonical SMILES for [2-(2-methoxyethoxyamino)phenyl] hypofluorite is COCCONc1ccccc1OF.
What is the InChIKey of [2-(2-methoxyethoxyamino)phenyl] hypofluorite?
The InChIKey is SKOGMVSPZHOGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3/c1-12-6-7-13-11-8-4-2-3-5-9(8)14-10/h2-5,11H,6-7H2,1H3.
What are the key properties of [2-(2-methoxyethoxyamino)phenyl] hypofluorite?
[2-(2-methoxyethoxyamino)phenyl] hypofluorite has a molecular weight of 201.20 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethoxyamino)phenyl] hypofluorite is sourced from PubChem (CID 172812867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).