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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Related Compounds

2-(2-fluorophenoxy)-5-(trifluoromethyl)pyridine
CID 894987
2-(2-methoxyphenoxy)-5-(trifluoromethyl)pyridine
CID 70516115
N-(3,4-dichlorophenyl)-6-[(1-oxo-2,3-dihydroinden-4-yl)oxy]pyridine-3-carboxamide
CID 18673893
4-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]propoxy]-2,3-dihydroinden-1-one
CID 97331954
4-(2-methoxyethoxy)-2,3-dihydroinden-1-one
CID 60705268
1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea
CID 18673943
2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]indene-1,3-dione
CID 4230229
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine
CID 894667
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 13490922
2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine
CID 894657
2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine
CID 66876057

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).