1-[[4-nitro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol

C18H11F3N2O3 — CID 4102807

IUPAC1-[[4-nitro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1C(F)(F)F
InChIInChI=1S/C18H11F3N2O3/c19-18(20,21)15-9-12(6-7-16(15)23(25)26)22-10-14-13-4-2-1-3-11(13)5-8-17(14)24/h1-10,24H/b22-10+
InChIKeyGPOCEGTYTZRJDP-LSHDLFTRSA-N
MW360.29 g/mol
LogP5.22
Rot. Bonds3

About 1-[[4-nitro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol

1-[[4-nitro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol (PubChem CID 4102807) has the molecular formula C18H11F3N2O3 and a molecular weight of 360.29 g/mol. Its IUPAC name is 1-[[4-nitro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[4-nitro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol
PubChem CID4102807
Molecular FormulaC18H11F3N2O3
Molecular Weight360.29 g/mol
Exact Mass360.07
IUPAC Name1-[[4-nitro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1C(F)(F)F
InChIInChI=1S/C18H11F3N2O3/c19-18(20,21)15-9-12(6-7-16(15)23(25)26)22-10-14-13-4-2-1-3-11(13)5-8-17(14)24/h1-10,24H/b22-10+
InChIKeyGPOCEGTYTZRJDP-LSHDLFTRSA-N
XLogP5.22
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.29
LogP ≤ 55.22
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

1-(4-Hydroxyphenyliminomethyl)-2-naphthol
CID 269970
6-Hydroxy-1-nitropyrene
CID 104988
8-Hydroxy-1-nitropyrene
CID 105022
1-(Anilinomethylidene)-2-naphthalenone
CID 269969
1-(4-Nitrophenyliminomethyl)-2-naphthol
CID 626145
2-(Naphthalen-1-yliminomethyl)-4-nitro-phenol
CID 690984
1-{(E)-[(4-vinylphenyl)imino]methyl}-2-naphthol
CID 4445693
Nsc305935
CID 328192
1-(((4-Iodophenyl)imino)methyl)naphthalen-2-ol
CID 1083504
1-(O-Tolyliminomethyl)-2-naphthol
CID 548604
1-{[(3-Fluoro-4-methylphenyl)imino]methyl}-2-naphthol
CID 707761
2-[(E)-(naphthalen-1-ylimino)methyl]-6-nitrophenol
CID 1514111

Frequently Asked Questions

What is the IUPAC name of 1-[[4-nitro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[[4-nitro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol (CID 4102807) is 1-[[4-nitro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[4-nitro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[[4-nitro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol is O=[N+]([O-])c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1C(F)(F)F.
What is the InChIKey of 1-[[4-nitro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol?
The InChIKey is GPOCEGTYTZRJDP-LSHDLFTRSA-N. The full InChI is InChI=1S/C18H11F3N2O3/c19-18(20,21)15-9-12(6-7-16(15)23(25)26)22-10-14-13-4-2-1-3-11(13)5-8-17(14)24/h1-10,24H/b22-10+.
What are the key properties of 1-[[4-nitro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol?
1-[[4-nitro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol has a molecular weight of 360.29 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-nitro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 4102807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).