4-bromo-2-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol

C14H9BrF3NO2 — CID 135657402

IUPAC4-bromo-2-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H9BrF3NO2/c15-10-4-5-13(20)9(6-10)8-19-11-2-1-3-12(7-11)21-14(16,17)18/h1-8,20H/b19-8+
InChIKeyUTOMIHTYYYZSGQ-UFWORHAWSA-N
MW360.13 g/mol
LogP4.80
Rot. Bonds3

About 4-bromo-2-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol

4-bromo-2-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol (PubChem CID 135657402) has the molecular formula C14H9BrF3NO2 and a molecular weight of 360.13 g/mol. Its IUPAC name is 4-bromo-2-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
PubChem CID135657402
Molecular FormulaC14H9BrF3NO2
Molecular Weight360.13 g/mol
Exact Mass358.98
IUPAC Name4-bromo-2-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H9BrF3NO2/c15-10-4-5-13(20)9(6-10)8-19-11-2-1-3-12(7-11)21-14(16,17)18/h1-8,20H/b19-8+
InChIKeyUTOMIHTYYYZSGQ-UFWORHAWSA-N
XLogP4.80
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.13
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-6-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 135657437
4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol
CID 707393
3-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzonitrile
CID 721960
4-[(3-bromophenyl)diazenyl]-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 3892840
4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 162659279
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol
CID 135657407
4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol
CID 135692449
1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one
CID 3562174
dimethyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595464
2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 771801
1-(2,5-dibromophenyl)-1-methyl-2-[3-(trifluoromethoxy)phenyl]guanidine
CID 18752001

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol (CID 135657402) is 4-bromo-2-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol is Oc1ccc(Br)cc1/C=N/c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 4-bromo-2-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol?
The InChIKey is UTOMIHTYYYZSGQ-UFWORHAWSA-N. The full InChI is InChI=1S/C14H9BrF3NO2/c15-10-4-5-13(20)9(6-10)8-19-11-2-1-3-12(7-11)21-14(16,17)18/h1-8,20H/b19-8+.
What are the key properties of 4-bromo-2-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol?
4-bromo-2-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol has a molecular weight of 360.13 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol is sourced from PubChem (CID 135657402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).