(4-methylphenyl)-oxido-[[2-(trifluoromethyl)phenyl]hydrazinylidene]azanium

C14H12F3N3O — CID 155292908

IUPAC(4-methylphenyl)-oxido-[[2-(trifluoromethyl)phenyl]hydrazinylidene]azanium
SMILESCc1ccc([N+]([O-])=NNc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C14H12F3N3O/c1-10-6-8-11(9-7-10)20(21)19-18-13-5-3-2-4-12(13)14(15,16)17/h2-9,18H,1H3
InChIKeyKDVYWWFABDSRMI-UHFFFAOYSA-N
MW295.26 g/mol
LogP4.63
Rot. Bonds3

About (4-methylphenyl)-oxido-[[2-(trifluoromethyl)phenyl]hydrazinylidene]azanium

(4-methylphenyl)-oxido-[[2-(trifluoromethyl)phenyl]hydrazinylidene]azanium (PubChem CID 155292908) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is (4-methylphenyl)-oxido-[[2-(trifluoromethyl)phenyl]hydrazinylidene]azanium.

Molecular Properties

Compound Name(4-methylphenyl)-oxido-[[2-(trifluoromethyl)phenyl]hydrazinylidene]azanium
PubChem CID155292908
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name(4-methylphenyl)-oxido-[[2-(trifluoromethyl)phenyl]hydrazinylidene]azanium
SMILESCc1ccc([N+]([O-])=NNc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C14H12F3N3O/c1-10-6-8-11(9-7-10)20(21)19-18-13-5-3-2-4-12(13)14(15,16)17/h2-9,18H,1H3
InChIKeyKDVYWWFABDSRMI-UHFFFAOYSA-N
XLogP4.63
TPSA50.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 54.63
H-Bond Donors ≤ 51
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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Related Compounds

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CID 79106688
5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile
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2-amino-5-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 62511382
1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859836
N-[(Z)-benzylideneamino]-2-(trifluoromethyl)aniline
CID 6305730
1-(4-nitrophenyl)-2-[2-(trifluoromethyl)anilino]ethanone
CID 110824973
4-methyl-N-[2-nitro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 102196173
4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 62879958
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(trifluoromethyl)aniline
CID 110651760
[2-(trifluoromethyl)phenyl]cyanamide
CID 12503114
4-methyl-N-[methyl-oxo-[[2-(trifluoromethyl)phenyl]methyl]-λ6-sulfanylidene]benzenesulfonamide
CID 162396758
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline
CID 71145987

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-oxido-[[2-(trifluoromethyl)phenyl]hydrazinylidene]azanium?
The IUPAC name of (4-methylphenyl)-oxido-[[2-(trifluoromethyl)phenyl]hydrazinylidene]azanium (CID 155292908) is (4-methylphenyl)-oxido-[[2-(trifluoromethyl)phenyl]hydrazinylidene]azanium.
What is the SMILES notation for (4-methylphenyl)-oxido-[[2-(trifluoromethyl)phenyl]hydrazinylidene]azanium?
The canonical SMILES for (4-methylphenyl)-oxido-[[2-(trifluoromethyl)phenyl]hydrazinylidene]azanium is Cc1ccc([N+]([O-])=NNc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of (4-methylphenyl)-oxido-[[2-(trifluoromethyl)phenyl]hydrazinylidene]azanium?
The InChIKey is KDVYWWFABDSRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-10-6-8-11(9-7-10)20(21)19-18-13-5-3-2-4-12(13)14(15,16)17/h2-9,18H,1H3.
What are the key properties of (4-methylphenyl)-oxido-[[2-(trifluoromethyl)phenyl]hydrazinylidene]azanium?
(4-methylphenyl)-oxido-[[2-(trifluoromethyl)phenyl]hydrazinylidene]azanium has a molecular weight of 295.26 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-oxido-[[2-(trifluoromethyl)phenyl]hydrazinylidene]azanium is sourced from PubChem (CID 155292908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).