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'}

Analyze 1-(2,5-difluorophenyl)-N-phenylmethanimine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-4-nitrophenyl)-N-phenylmethanimine oxide
CID 88775036
1,4-difluoro-2-[(E)-2-(2-fluorophenyl)ethenyl]benzene
CID 134146382
N-(4-fluorophenyl)-1-(4-phenylphenyl)methanimine oxide
CID 11833175
1-(2,5-difluorophenyl)-N-phenylmethanimine
CID 23340889
N-phenyl-1-(2,4,6-trichlorophenyl)methanimine oxide
CID 88775663
1-[4-methyl-2-(trifluoromethyl)phenyl]-N-phenylmethanimine oxide
CID 88775154
N-(4-chlorophenyl)-1-(2-methoxyphenyl)methanimine oxide
CID 573960
2,5-difluorothiobenzaldehyde
CID 91234855
1,4-difluoro-2-[(E)-2-nitroprop-1-enyl]benzene
CID 24721448
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
1-(2-chloro-4-ethylphenyl)-N-phenylmethanimine oxide
CID 88775528
benzene;1,2-difluorobenzene;1,3-difluorobenzene;fluorobenzene;nitrobenzene
CID 158057071

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).