(2-fluorophenyl)-(2-fluorophenyl)imino-oxidoazanium

C12H8F2N2O — CID 13058432

IUPAC(2-fluorophenyl)-(2-fluorophenyl)imino-oxidoazanium
SMILES[O-]/[N+](=N\c1ccccc1F)c1ccccc1F
InChIInChI=1S/C12H8F2N2O/c13-9-5-1-3-7-11(9)15-16(17)12-8-4-2-6-10(12)14/h1-8H/b16-15-
InChIKeyKGYVAPNZKKKRHL-NXVVXOECSA-N
MW234.21 g/mol
LogP3.89
Rot. Bonds2

About (2-fluorophenyl)-(2-fluorophenyl)imino-oxidoazanium

(2-fluorophenyl)-(2-fluorophenyl)imino-oxidoazanium (PubChem CID 13058432) has the molecular formula C12H8F2N2O and a molecular weight of 234.21 g/mol. Its IUPAC name is (2-fluorophenyl)-(2-fluorophenyl)imino-oxidoazanium.

Molecular Properties

Compound Name(2-fluorophenyl)-(2-fluorophenyl)imino-oxidoazanium
PubChem CID13058432
Molecular FormulaC12H8F2N2O
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name(2-fluorophenyl)-(2-fluorophenyl)imino-oxidoazanium
SMILES[O-]/[N+](=N\c1ccccc1F)c1ccccc1F
InChIInChI=1S/C12H8F2N2O/c13-9-5-1-3-7-11(9)15-16(17)12-8-4-2-6-10(12)14/h1-8H/b16-15-
InChIKeyKGYVAPNZKKKRHL-NXVVXOECSA-N
XLogP3.89
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(2-fluorophenyl)imino-oxidoazanium?
The IUPAC name of (2-fluorophenyl)-(2-fluorophenyl)imino-oxidoazanium (CID 13058432) is (2-fluorophenyl)-(2-fluorophenyl)imino-oxidoazanium.
What is the SMILES notation for (2-fluorophenyl)-(2-fluorophenyl)imino-oxidoazanium?
The canonical SMILES for (2-fluorophenyl)-(2-fluorophenyl)imino-oxidoazanium is [O-]/[N+](=N\c1ccccc1F)c1ccccc1F.
What is the InChIKey of (2-fluorophenyl)-(2-fluorophenyl)imino-oxidoazanium?
The InChIKey is KGYVAPNZKKKRHL-NXVVXOECSA-N. The full InChI is InChI=1S/C12H8F2N2O/c13-9-5-1-3-7-11(9)15-16(17)12-8-4-2-6-10(12)14/h1-8H/b16-15-.
What are the key properties of (2-fluorophenyl)-(2-fluorophenyl)imino-oxidoazanium?
(2-fluorophenyl)-(2-fluorophenyl)imino-oxidoazanium has a molecular weight of 234.21 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(2-fluorophenyl)imino-oxidoazanium is sourced from PubChem (CID 13058432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).