5-amino-6-(4-fluorophenoxy)-2,3-dihydroinden-1-one

C15H12FNO2 — CID 12908975

IUPAC5-amino-6-(4-fluorophenoxy)-2,3-dihydroinden-1-one
SMILESNc1cc2c(cc1Oc1ccc(F)cc1)C(=O)CC2
InChIInChI=1S/C15H12FNO2/c16-10-2-4-11(5-3-10)19-15-8-12-9(7-13(15)17)1-6-14(12)18/h2-5,7-8H,1,6,17H2
InChIKeyUPYPTDDLVMLJSH-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.33
Rot. Bonds2

About 5-amino-6-(4-fluorophenoxy)-2,3-dihydroinden-1-one

5-amino-6-(4-fluorophenoxy)-2,3-dihydroinden-1-one (PubChem CID 12908975) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 5-amino-6-(4-fluorophenoxy)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-amino-6-(4-fluorophenoxy)-2,3-dihydroinden-1-one
PubChem CID12908975
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name5-amino-6-(4-fluorophenoxy)-2,3-dihydroinden-1-one
SMILESNc1cc2c(cc1Oc1ccc(F)cc1)C(=O)CC2
InChIInChI=1S/C15H12FNO2/c16-10-2-4-11(5-3-10)19-15-8-12-9(7-13(15)17)1-6-14(12)18/h2-5,7-8H,1,6,17H2
InChIKeyUPYPTDDLVMLJSH-UHFFFAOYSA-N
XLogP3.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-fluorophenoxy)-2,3-dihydroinden-1-one?
The IUPAC name of 5-amino-6-(4-fluorophenoxy)-2,3-dihydroinden-1-one (CID 12908975) is 5-amino-6-(4-fluorophenoxy)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-amino-6-(4-fluorophenoxy)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-amino-6-(4-fluorophenoxy)-2,3-dihydroinden-1-one is Nc1cc2c(cc1Oc1ccc(F)cc1)C(=O)CC2.
What is the InChIKey of 5-amino-6-(4-fluorophenoxy)-2,3-dihydroinden-1-one?
The InChIKey is UPYPTDDLVMLJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c16-10-2-4-11(5-3-10)19-15-8-12-9(7-13(15)17)1-6-14(12)18/h2-5,7-8H,1,6,17H2.
What are the key properties of 5-amino-6-(4-fluorophenoxy)-2,3-dihydroinden-1-one?
5-amino-6-(4-fluorophenoxy)-2,3-dihydroinden-1-one has a molecular weight of 257.26 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-fluorophenoxy)-2,3-dihydroinden-1-one is sourced from PubChem (CID 12908975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).