4-chloro-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol

C14H9ClF3NO — CID 2807028

IUPAC4-chloro-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9ClF3NO/c15-11-4-5-13(20)9(6-11)8-19-12-3-1-2-10(7-12)14(16,17)18/h1-8,20H/b19-8+
InChIKeyPDDAWRGHUWFHSX-UFWORHAWSA-N
MW299.68 g/mol
LogP4.82
Rot. Bonds2

About 4-chloro-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol

4-chloro-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 2807028) has the molecular formula C14H9ClF3NO and a molecular weight of 299.68 g/mol. Its IUPAC name is 4-chloro-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID2807028
Molecular FormulaC14H9ClF3NO
Molecular Weight299.68 g/mol
Exact Mass299.03
IUPAC Name4-chloro-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9ClF3NO/c15-11-4-5-13(20)9(6-11)8-19-12-3-1-2-10(7-12)14(16,17)18/h1-8,20H/b19-8+
InChIKeyPDDAWRGHUWFHSX-UFWORHAWSA-N
XLogP4.82
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[[3-(trifluoromethyl)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 4-chloro-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 2807028) is 4-chloro-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol is Oc1ccc(Cl)cc1/C=N/c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is PDDAWRGHUWFHSX-UFWORHAWSA-N. The full InChI is InChI=1S/C14H9ClF3NO/c15-11-4-5-13(20)9(6-11)8-19-12-3-1-2-10(7-12)14(16,17)18/h1-8,20H/b19-8+.
What are the key properties of 4-chloro-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol?
4-chloro-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 299.68 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 2807028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).