7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]inden-1-one

C15H6F7NO2 — CID 146486942

IUPAC7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]inden-1-one
SMILESO=C1c2c(ccc(Oc3cncc(F)c3)c2C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C15H6F7NO2/c16-6-3-7(5-23-4-6)25-9-2-1-8-10(11(9)13(17)18)12(24)15(21,22)14(8,19)20/h1-5,13H
InChIKeyLKLSNKOWQIXIQG-UHFFFAOYSA-N
MW365.20 g/mol
LogP4.87
Rot. Bonds3

About 7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]inden-1-one

7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]inden-1-one (PubChem CID 146486942) has the molecular formula C15H6F7NO2 and a molecular weight of 365.20 g/mol. Its IUPAC name is 7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]inden-1-one.

Molecular Properties

Compound Name7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]inden-1-one
PubChem CID146486942
Molecular FormulaC15H6F7NO2
Molecular Weight365.20 g/mol
Exact Mass365.03
IUPAC Name7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]inden-1-one
SMILESO=C1c2c(ccc(Oc3cncc(F)c3)c2C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C15H6F7NO2/c16-6-3-7(5-23-4-6)25-9-2-1-8-10(11(9)13(17)18)12(24)15(21,22)14(8,19)20/h1-5,13H
InChIKeyLKLSNKOWQIXIQG-UHFFFAOYSA-N
XLogP4.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]inden-1-one?
The IUPAC name of 7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]inden-1-one (CID 146486942) is 7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]inden-1-one.
What is the SMILES notation for 7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]inden-1-one?
The canonical SMILES for 7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]inden-1-one is O=C1c2c(ccc(Oc3cncc(F)c3)c2C(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]inden-1-one?
The InChIKey is LKLSNKOWQIXIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F7NO2/c16-6-3-7(5-23-4-6)25-9-2-1-8-10(11(9)13(17)18)12(24)15(21,22)14(8,19)20/h1-5,13H.
What are the key properties of 7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]inden-1-one?
7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]inden-1-one has a molecular weight of 365.20 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]inden-1-one is sourced from PubChem (CID 146486942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).