2-[(2-fluorophenyl)iminomethyl]-1-benzothiophen-3-ol

C15H10FNOS — CID 961583

IUPAC2-[(2-fluorophenyl)iminomethyl]-1-benzothiophen-3-ol
SMILESOc1c(/C=N/c2ccccc2F)sc2ccccc12
InChIInChI=1S/C15H10FNOS/c16-11-6-2-3-7-12(11)17-9-14-15(18)10-5-1-4-8-13(10)19-14/h1-9,18H/b17-9+
InChIKeyMIZGARLNJXNXOD-RQZCQDPDSA-N
MW271.32 g/mol
LogP4.50
Rot. Bonds2

About 2-[(2-fluorophenyl)iminomethyl]-1-benzothiophen-3-ol

2-[(2-fluorophenyl)iminomethyl]-1-benzothiophen-3-ol (PubChem CID 961583) has the molecular formula C15H10FNOS and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)iminomethyl]-1-benzothiophen-3-ol.

Molecular Properties

Compound Name2-[(2-fluorophenyl)iminomethyl]-1-benzothiophen-3-ol
PubChem CID961583
Molecular FormulaC15H10FNOS
Molecular Weight271.32 g/mol
Exact Mass271.05
IUPAC Name2-[(2-fluorophenyl)iminomethyl]-1-benzothiophen-3-ol
SMILESOc1c(/C=N/c2ccccc2F)sc2ccccc12
InChIInChI=1S/C15H10FNOS/c16-11-6-2-3-7-12(11)17-9-14-15(18)10-5-1-4-8-13(10)19-14/h1-9,18H/b17-9+
InChIKeyMIZGARLNJXNXOD-RQZCQDPDSA-N
XLogP4.50
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)iminomethyl]-1-benzothiophen-3-ol?
The IUPAC name of 2-[(2-fluorophenyl)iminomethyl]-1-benzothiophen-3-ol (CID 961583) is 2-[(2-fluorophenyl)iminomethyl]-1-benzothiophen-3-ol.
What is the SMILES notation for 2-[(2-fluorophenyl)iminomethyl]-1-benzothiophen-3-ol?
The canonical SMILES for 2-[(2-fluorophenyl)iminomethyl]-1-benzothiophen-3-ol is Oc1c(/C=N/c2ccccc2F)sc2ccccc12.
What is the InChIKey of 2-[(2-fluorophenyl)iminomethyl]-1-benzothiophen-3-ol?
The InChIKey is MIZGARLNJXNXOD-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H10FNOS/c16-11-6-2-3-7-12(11)17-9-14-15(18)10-5-1-4-8-13(10)19-14/h1-9,18H/b17-9+.
What are the key properties of 2-[(2-fluorophenyl)iminomethyl]-1-benzothiophen-3-ol?
2-[(2-fluorophenyl)iminomethyl]-1-benzothiophen-3-ol has a molecular weight of 271.32 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)iminomethyl]-1-benzothiophen-3-ol is sourced from PubChem (CID 961583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).