(4-fluoro-2-methoxyphenyl)-methoxy-oxoazanium

C8H9FNO3+ — CID 91435207

IUPAC(4-fluoro-2-methoxyphenyl)-methoxy-oxoazanium
SMILESCOc1cc(F)ccc1[N+](=O)OC
InChIInChI=1S/C8H9FNO3/c1-12-8-5-6(9)3-4-7(8)10(11)13-2/h3-5H,1-2H3/q+1
InChIKeyPYCIQYDLCJQNTL-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.81
Rot. Bonds3

About (4-fluoro-2-methoxyphenyl)-methoxy-oxoazanium

(4-fluoro-2-methoxyphenyl)-methoxy-oxoazanium (PubChem CID 91435207) has the molecular formula C8H9FNO3+ and a molecular weight of 186.16 g/mol. Its IUPAC name is (4-fluoro-2-methoxyphenyl)-methoxy-oxoazanium.

Molecular Properties

Compound Name(4-fluoro-2-methoxyphenyl)-methoxy-oxoazanium
PubChem CID91435207
Molecular FormulaC8H9FNO3+
Molecular Weight186.16 g/mol
Exact Mass186.06
IUPAC Name(4-fluoro-2-methoxyphenyl)-methoxy-oxoazanium
SMILESCOc1cc(F)ccc1[N+](=O)OC
InChIInChI=1S/C8H9FNO3/c1-12-8-5-6(9)3-4-7(8)10(11)13-2/h3-5H,1-2H3/q+1
InChIKeyPYCIQYDLCJQNTL-UHFFFAOYSA-N
XLogP1.81
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methoxyphenyl)-methoxy-oxoazanium?
The IUPAC name of (4-fluoro-2-methoxyphenyl)-methoxy-oxoazanium (CID 91435207) is (4-fluoro-2-methoxyphenyl)-methoxy-oxoazanium.
What is the SMILES notation for (4-fluoro-2-methoxyphenyl)-methoxy-oxoazanium?
The canonical SMILES for (4-fluoro-2-methoxyphenyl)-methoxy-oxoazanium is COc1cc(F)ccc1[N+](=O)OC.
What is the InChIKey of (4-fluoro-2-methoxyphenyl)-methoxy-oxoazanium?
The InChIKey is PYCIQYDLCJQNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FNO3/c1-12-8-5-6(9)3-4-7(8)10(11)13-2/h3-5H,1-2H3/q+1.
What are the key properties of (4-fluoro-2-methoxyphenyl)-methoxy-oxoazanium?
(4-fluoro-2-methoxyphenyl)-methoxy-oxoazanium has a molecular weight of 186.16 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methoxyphenyl)-methoxy-oxoazanium is sourced from PubChem (CID 91435207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).