1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-oxoindene-4-carbonitrile

C15H5F5N2O2 — CID 146486926

IUPAC1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-oxoindene-4-carbonitrile
SMILESN#Cc1c(Oc2cncc(F)c2)ccc2c1C(=O)C(F)(F)C2(F)F
InChIInChI=1S/C15H5F5N2O2/c16-7-3-8(6-22-5-7)24-11-2-1-10-12(9(11)4-21)13(23)15(19,20)14(10,17)18/h1-3,5-6H
InChIKeyJSUJRWIHXICKKO-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.81
Rot. Bonds2

About 1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-oxoindene-4-carbonitrile

1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-oxoindene-4-carbonitrile (PubChem CID 146486926) has the molecular formula C15H5F5N2O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-oxoindene-4-carbonitrile.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-oxoindene-4-carbonitrile
PubChem CID146486926
Molecular FormulaC15H5F5N2O2
Molecular Weight340.21 g/mol
Exact Mass340.03
IUPAC Name1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-oxoindene-4-carbonitrile
SMILESN#Cc1c(Oc2cncc(F)c2)ccc2c1C(=O)C(F)(F)C2(F)F
InChIInChI=1S/C15H5F5N2O2/c16-7-3-8(6-22-5-7)24-11-2-1-10-12(9(11)4-21)13(23)15(19,20)14(10,17)18/h1-3,5-6H
InChIKeyJSUJRWIHXICKKO-UHFFFAOYSA-N
XLogP3.81
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-oxoindene-4-carbonitrile?
The IUPAC name of 1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-oxoindene-4-carbonitrile (CID 146486926) is 1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-oxoindene-4-carbonitrile.
What is the SMILES notation for 1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-oxoindene-4-carbonitrile?
The canonical SMILES for 1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-oxoindene-4-carbonitrile is N#Cc1c(Oc2cncc(F)c2)ccc2c1C(=O)C(F)(F)C2(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-oxoindene-4-carbonitrile?
The InChIKey is JSUJRWIHXICKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H5F5N2O2/c16-7-3-8(6-22-5-7)24-11-2-1-10-12(9(11)4-21)13(23)15(19,20)14(10,17)18/h1-3,5-6H.
What are the key properties of 1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-oxoindene-4-carbonitrile?
1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-oxoindene-4-carbonitrile has a molecular weight of 340.21 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-oxoindene-4-carbonitrile is sourced from PubChem (CID 146486926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).