2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

C14H11F3N2O — CID 135520655

IUPAC2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)11-5-3-6-12(8-11)19-18-9-10-4-1-2-7-13(10)20/h1-9,19-20H/b18-9+
InChIKeyNIIXFWLTPFIGCL-GIJQJNRQSA-N
MW280.25 g/mol
LogP3.86
Rot. Bonds3

About 2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (PubChem CID 135520655) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
PubChem CID135520655
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)11-5-3-6-12(8-11)19-18-9-10-4-1-2-7-13(10)20/h1-9,19-20H/b18-9+
InChIKeyNIIXFWLTPFIGCL-GIJQJNRQSA-N
XLogP3.86
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (CID 135520655) is 2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is Oc1ccccc1/C=N/Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The InChIKey is NIIXFWLTPFIGCL-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)11-5-3-6-12(8-11)19-18-9-10-4-1-2-7-13(10)20/h1-9,19-20H/b18-9+.
What are the key properties of 2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol has a molecular weight of 280.25 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135520655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).