1-phenyl-N-[4-(trifluoromethyl)phenyl]methanimine oxide

C14H10F3NO — CID 22807932

IUPAC1-phenyl-N-[4-(trifluoromethyl)phenyl]methanimine oxide
SMILES[O-]/[N+](=C\c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO/c15-14(16,17)12-6-8-13(9-7-12)18(19)10-11-4-2-1-3-5-11/h1-10H/b18-10-
InChIKeySTMKJQXQNIXJPA-ZDLGFXPLSA-N
MW265.23 g/mol
LogP3.97
Rot. Bonds2

About 1-phenyl-N-[4-(trifluoromethyl)phenyl]methanimine oxide

1-phenyl-N-[4-(trifluoromethyl)phenyl]methanimine oxide (PubChem CID 22807932) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-phenyl-N-[4-(trifluoromethyl)phenyl]methanimine oxide.

Molecular Properties

Compound Name1-phenyl-N-[4-(trifluoromethyl)phenyl]methanimine oxide
PubChem CID22807932
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name1-phenyl-N-[4-(trifluoromethyl)phenyl]methanimine oxide
SMILES[O-]/[N+](=C\c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO/c15-14(16,17)12-6-8-13(9-7-12)18(19)10-11-4-2-1-3-5-11/h1-10H/b18-10-
InChIKeySTMKJQXQNIXJPA-ZDLGFXPLSA-N
XLogP3.97
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.97
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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Related Compounds

N-(4-hydroxyphenyl)-1-phenylmethanimine oxide
CID 88774477
N-(4-fluorophenyl)-1-(4-phenylphenyl)methanimine oxide
CID 11833175
1-(4-carboxyphenyl)-N-phenylmethanimine oxide
CID 118506239
1-phenyl-N-(3,4,5-trimethylphenyl)methanimine oxide
CID 88774509
1-(3-cyanophenyl)-N-phenylmethanimine oxide
CID 125114778
N,1-bis(4-methylphenyl)methanimine oxide
CID 85439147
N-(3-chlorophenyl)-1-phenylmethanimine oxide
CID 12672716
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
1-(3-fluorophenyl)-N-(4-methylphenyl)methanimine oxide
CID 88775122
N-phenyl-1-(3,4,5-trimethylphenyl)methanimine oxide
CID 88775473

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[4-(trifluoromethyl)phenyl]methanimine oxide?
The IUPAC name of 1-phenyl-N-[4-(trifluoromethyl)phenyl]methanimine oxide (CID 22807932) is 1-phenyl-N-[4-(trifluoromethyl)phenyl]methanimine oxide.
What is the SMILES notation for 1-phenyl-N-[4-(trifluoromethyl)phenyl]methanimine oxide?
The canonical SMILES for 1-phenyl-N-[4-(trifluoromethyl)phenyl]methanimine oxide is [O-]/[N+](=C\c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-phenyl-N-[4-(trifluoromethyl)phenyl]methanimine oxide?
The InChIKey is STMKJQXQNIXJPA-ZDLGFXPLSA-N. The full InChI is InChI=1S/C14H10F3NO/c15-14(16,17)12-6-8-13(9-7-12)18(19)10-11-4-2-1-3-5-11/h1-10H/b18-10-.
What are the key properties of 1-phenyl-N-[4-(trifluoromethyl)phenyl]methanimine oxide?
1-phenyl-N-[4-(trifluoromethyl)phenyl]methanimine oxide has a molecular weight of 265.23 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[4-(trifluoromethyl)phenyl]methanimine oxide is sourced from PubChem (CID 22807932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).