4-nitro-2-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol

C14H9F3N2O3 — CID 155262231

IUPAC4-nitro-2-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)11-3-1-2-4-12(11)18-8-9-7-10(19(21)22)5-6-13(9)20/h1-8,20H/b18-8+
InChIKeyIEIQYWBWHNLFPH-QGMBQPNBSA-N
MW310.23 g/mol
LogP4.07
Rot. Bonds3

About 4-nitro-2-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol

4-nitro-2-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 155262231) has the molecular formula C14H9F3N2O3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 4-nitro-2-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-nitro-2-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID155262231
Molecular FormulaC14H9F3N2O3
Molecular Weight310.23 g/mol
Exact Mass310.06
IUPAC Name4-nitro-2-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)11-3-1-2-4-12(11)18-8-9-7-10(19(21)22)5-6-13(9)20/h1-8,20H/b18-8+
InChIKeyIEIQYWBWHNLFPH-QGMBQPNBSA-N
XLogP4.07
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Alpha-(4-hydroxyphenylimino)-O-cresol
CID 219803
2-(Naphthalen-1-yliminomethyl)-4-nitro-phenol
CID 690984
2-(((3-Nitrophenyl)methylene)amino)phenol
CID 94755
3-Fluoro-N-(2-hydroxybenzylidene)aniline
CID 3827791
2-Hydroxy-5-nitrobenzaldehyde methyl(phenyl)hydrazone
CID 135498016
2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol
CID 135520025
(2E)-2-(2-hydroxy-5-nitrobenzylidene)hydrazinecarboximidamide
CID 135454394
Benzaldehyde, 2-hydroxy-5-nitro-, oxime
CID 86261909
Phenol, p-((m-nitrobenzylidene)amino)-
CID 94756
Nsc120658
CID 274563
Alpha-(3,5-bis(trifluoromethyl)phenylimino)-O-cresol
CID 641191
Alpha-(M-tolylimino)-ortho-cresol
CID 270212

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 4-nitro-2-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 155262231) is 4-nitro-2-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-nitro-2-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 4-nitro-2-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol is O=[N+]([O-])c1ccc(O)c(/C=N/c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 4-nitro-2-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is IEIQYWBWHNLFPH-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H9F3N2O3/c15-14(16,17)11-3-1-2-4-12(11)18-8-9-7-10(19(21)22)5-6-13(9)20/h1-8,20H/b18-8+.
What are the key properties of 4-nitro-2-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol?
4-nitro-2-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 310.23 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 155262231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).