4-chloro-2-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]phenol

C17H11ClFNO2 — CID 5079878

IUPAC4-chloro-2-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]phenol
SMILESOc1ccc(Cl)cc1/N=C/c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H11ClFNO2/c18-12-3-7-16(21)15(9-12)20-10-14-6-8-17(22-14)11-1-4-13(19)5-2-11/h1-10,21H/b20-10+
InChIKeySICNOJYBGRITJI-KEBDBYFISA-N
MW315.73 g/mol
LogP5.20
Rot. Bonds3

About 4-chloro-2-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]phenol

4-chloro-2-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]phenol (PubChem CID 5079878) has the molecular formula C17H11ClFNO2 and a molecular weight of 315.73 g/mol. Its IUPAC name is 4-chloro-2-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]phenol.

Molecular Properties

Compound Name4-chloro-2-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]phenol
PubChem CID5079878
Molecular FormulaC17H11ClFNO2
Molecular Weight315.73 g/mol
Exact Mass315.05
IUPAC Name4-chloro-2-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]phenol
SMILESOc1ccc(Cl)cc1/N=C/c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H11ClFNO2/c18-12-3-7-16(21)15(9-12)20-10-14-6-8-17(22-14)11-1-4-13(19)5-2-11/h1-10,21H/b20-10+
InChIKeySICNOJYBGRITJI-KEBDBYFISA-N
XLogP5.20
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.73
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]phenol?
The IUPAC name of 4-chloro-2-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]phenol (CID 5079878) is 4-chloro-2-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]phenol.
What is the SMILES notation for 4-chloro-2-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]phenol?
The canonical SMILES for 4-chloro-2-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]phenol is Oc1ccc(Cl)cc1/N=C/c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 4-chloro-2-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]phenol?
The InChIKey is SICNOJYBGRITJI-KEBDBYFISA-N. The full InChI is InChI=1S/C17H11ClFNO2/c18-12-3-7-16(21)15(9-12)20-10-14-6-8-17(22-14)11-1-4-13(19)5-2-11/h1-10,21H/b20-10+.
What are the key properties of 4-chloro-2-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]phenol?
4-chloro-2-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]phenol has a molecular weight of 315.73 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]phenol is sourced from PubChem (CID 5079878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).