2-[(4-chlorophenyl)iminomethyl]-4-fluorophenol

C13H9ClFNO — CID 135908099

IUPAC2-[(4-chlorophenyl)iminomethyl]-4-fluorophenol
SMILESOc1ccc(F)cc1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClFNO/c14-10-1-4-12(5-2-10)16-8-9-7-11(15)3-6-13(9)17/h1-8,17H/b16-8+
InChIKeyNGRMDAGVXIROSG-LZYBPNLTSA-N
MW249.67 g/mol
LogP3.94
Rot. Bonds2

About 2-[(4-chlorophenyl)iminomethyl]-4-fluorophenol

2-[(4-chlorophenyl)iminomethyl]-4-fluorophenol (PubChem CID 135908099) has the molecular formula C13H9ClFNO and a molecular weight of 249.67 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)iminomethyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)iminomethyl]-4-fluorophenol
PubChem CID135908099
Molecular FormulaC13H9ClFNO
Molecular Weight249.67 g/mol
Exact Mass249.04
IUPAC Name2-[(4-chlorophenyl)iminomethyl]-4-fluorophenol
SMILESOc1ccc(F)cc1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClFNO/c14-10-1-4-12(5-2-10)16-8-9-7-11(15)3-6-13(9)17/h1-8,17H/b16-8+
InChIKeyNGRMDAGVXIROSG-LZYBPNLTSA-N
XLogP3.94
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.67
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)iminomethyl]-4-fluorophenol?
The IUPAC name of 2-[(4-chlorophenyl)iminomethyl]-4-fluorophenol (CID 135908099) is 2-[(4-chlorophenyl)iminomethyl]-4-fluorophenol.
What is the SMILES notation for 2-[(4-chlorophenyl)iminomethyl]-4-fluorophenol?
The canonical SMILES for 2-[(4-chlorophenyl)iminomethyl]-4-fluorophenol is Oc1ccc(F)cc1/C=N/c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)iminomethyl]-4-fluorophenol?
The InChIKey is NGRMDAGVXIROSG-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H9ClFNO/c14-10-1-4-12(5-2-10)16-8-9-7-11(15)3-6-13(9)17/h1-8,17H/b16-8+.
What are the key properties of 2-[(4-chlorophenyl)iminomethyl]-4-fluorophenol?
2-[(4-chlorophenyl)iminomethyl]-4-fluorophenol has a molecular weight of 249.67 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)iminomethyl]-4-fluorophenol is sourced from PubChem (CID 135908099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).