1-(2,5-difluorophenyl)-N-phenylmethanimine oxide

C13H9F2NO — CID 88774823

IUPAC1-(2,5-difluorophenyl)-N-phenylmethanimine oxide
SMILES[O-][N+](=Cc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C13H9F2NO/c14-11-6-7-13(15)10(8-11)9-16(17)12-4-2-1-3-5-12/h1-9H
InChIKeyDIXOJQYYKSJHAE-UHFFFAOYSA-N
MW233.22 g/mol
LogP3.23
Rot. Bonds2

About 1-(2,5-difluorophenyl)-N-phenylmethanimine oxide

1-(2,5-difluorophenyl)-N-phenylmethanimine oxide (PubChem CID 88774823) has the molecular formula C13H9F2NO and a molecular weight of 233.22 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-phenylmethanimine oxide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-phenylmethanimine oxide
PubChem CID88774823
Molecular FormulaC13H9F2NO
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name1-(2,5-difluorophenyl)-N-phenylmethanimine oxide
SMILES[O-][N+](=Cc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C13H9F2NO/c14-11-6-7-13(15)10(8-11)9-16(17)12-4-2-1-3-5-12/h1-9H
InChIKeyDIXOJQYYKSJHAE-UHFFFAOYSA-N
XLogP3.23
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 1-(2,5-difluorophenyl)-N-phenylmethanimine oxide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-phenylmethanimine oxide (CID 88774823) is 1-(2,5-difluorophenyl)-N-phenylmethanimine oxide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-phenylmethanimine oxide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-phenylmethanimine oxide is [O-][N+](=Cc1cc(F)ccc1F)c1ccccc1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-phenylmethanimine oxide?
The InChIKey is DIXOJQYYKSJHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO/c14-11-6-7-13(15)10(8-11)9-16(17)12-4-2-1-3-5-12/h1-9H.
What are the key properties of 1-(2,5-difluorophenyl)-N-phenylmethanimine oxide?
1-(2,5-difluorophenyl)-N-phenylmethanimine oxide has a molecular weight of 233.22 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-phenylmethanimine oxide is sourced from PubChem (CID 88774823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).