4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydroinden-1-one

C15H10F3NO2 — CID 23157487

IUPAC4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(Oc3ccc(C(F)(F)F)cn3)cccc21
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)9-4-7-14(19-8-9)21-13-3-1-2-10-11(13)5-6-12(10)20/h1-4,7-8H,5-6H2
InChIKeySKYXUMTZSCKNHK-UHFFFAOYSA-N
MW293.24 g/mol
LogP4.02
Rot. Bonds2

About 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydroinden-1-one

4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydroinden-1-one (PubChem CID 23157487) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydroinden-1-one
PubChem CID23157487
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC Name4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(Oc3ccc(C(F)(F)F)cn3)cccc21
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)9-4-7-14(19-8-9)21-13-3-1-2-10-11(13)5-6-12(10)20/h1-4,7-8H,5-6H2
InChIKeySKYXUMTZSCKNHK-UHFFFAOYSA-N
XLogP4.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydroinden-1-one?
The IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydroinden-1-one (CID 23157487) is 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydroinden-1-one?
The canonical SMILES for 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydroinden-1-one is O=C1CCc2c(Oc3ccc(C(F)(F)F)cn3)cccc21.
What is the InChIKey of 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydroinden-1-one?
The InChIKey is SKYXUMTZSCKNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2/c16-15(17,18)9-4-7-14(19-8-9)21-13-3-1-2-10-11(13)5-6-12(10)20/h1-4,7-8H,5-6H2.
What are the key properties of 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydroinden-1-one?
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydroinden-1-one has a molecular weight of 293.24 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydroinden-1-one is sourced from PubChem (CID 23157487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).