2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol

C14H10F3NO2 — CID 711357

IUPAC2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)20-12-7-5-11(6-8-12)18-9-10-3-1-2-4-13(10)19/h1-9,19H/b18-9+
InChIKeyFWTXMJWTZIVSCY-GIJQJNRQSA-N
MW281.23 g/mol
LogP4.04
Rot. Bonds3

About 2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol

2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol (PubChem CID 711357) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
PubChem CID711357
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)20-12-7-5-11(6-8-12)18-9-10-3-1-2-4-13(10)19/h1-9,19H/b18-9+
InChIKeyFWTXMJWTZIVSCY-GIJQJNRQSA-N
XLogP4.04
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol (CID 711357) is 2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol?
The InChIKey is FWTXMJWTZIVSCY-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)20-12-7-5-11(6-8-12)18-9-10-3-1-2-4-13(10)19/h1-9,19H/b18-9+.
What are the key properties of 2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol?
2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol has a molecular weight of 281.23 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol is sourced from PubChem (CID 711357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).