2-[(3-fluorophenyl)iminomethyl]-3-hydroxyinden-1-one

C16H10FNO2 — CID 135401649

IUPAC2-[(3-fluorophenyl)iminomethyl]-3-hydroxyinden-1-one
SMILESO=C1C(/C=N/c2cccc(F)c2)=C(O)c2ccccc21
InChIInChI=1S/C16H10FNO2/c17-10-4-3-5-11(8-10)18-9-14-15(19)12-6-1-2-7-13(12)16(14)20/h1-9,19H/b18-9+
InChIKeyMNVVSJGZLUTEOE-GIJQJNRQSA-N
MW267.26 g/mol
LogP3.69
Rot. Bonds2

About 2-[(3-fluorophenyl)iminomethyl]-3-hydroxyinden-1-one

2-[(3-fluorophenyl)iminomethyl]-3-hydroxyinden-1-one (PubChem CID 135401649) has the molecular formula C16H10FNO2 and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)iminomethyl]-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)iminomethyl]-3-hydroxyinden-1-one
PubChem CID135401649
Molecular FormulaC16H10FNO2
Molecular Weight267.26 g/mol
Exact Mass267.07
IUPAC Name2-[(3-fluorophenyl)iminomethyl]-3-hydroxyinden-1-one
SMILESO=C1C(/C=N/c2cccc(F)c2)=C(O)c2ccccc21
InChIInChI=1S/C16H10FNO2/c17-10-4-3-5-11(8-10)18-9-14-15(19)12-6-1-2-7-13(12)16(14)20/h1-9,19H/b18-9+
InChIKeyMNVVSJGZLUTEOE-GIJQJNRQSA-N
XLogP3.69
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)iminomethyl]-3-hydroxyinden-1-one?
The IUPAC name of 2-[(3-fluorophenyl)iminomethyl]-3-hydroxyinden-1-one (CID 135401649) is 2-[(3-fluorophenyl)iminomethyl]-3-hydroxyinden-1-one.
What is the SMILES notation for 2-[(3-fluorophenyl)iminomethyl]-3-hydroxyinden-1-one?
The canonical SMILES for 2-[(3-fluorophenyl)iminomethyl]-3-hydroxyinden-1-one is O=C1C(/C=N/c2cccc(F)c2)=C(O)c2ccccc21.
What is the InChIKey of 2-[(3-fluorophenyl)iminomethyl]-3-hydroxyinden-1-one?
The InChIKey is MNVVSJGZLUTEOE-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H10FNO2/c17-10-4-3-5-11(8-10)18-9-14-15(19)12-6-1-2-7-13(12)16(14)20/h1-9,19H/b18-9+.
What are the key properties of 2-[(3-fluorophenyl)iminomethyl]-3-hydroxyinden-1-one?
2-[(3-fluorophenyl)iminomethyl]-3-hydroxyinden-1-one has a molecular weight of 267.26 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)iminomethyl]-3-hydroxyinden-1-one is sourced from PubChem (CID 135401649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).