3-[(2,5-difluorophenyl)methylidene]-6-fluoro-1H-indol-2-one

C15H8F3NO — CID 66640531

IUPAC3-[(2,5-difluorophenyl)methylidene]-6-fluoro-1H-indol-2-one
SMILESO=C1Nc2cc(F)ccc2C1=Cc1cc(F)ccc1F
InChIInChI=1S/C15H8F3NO/c16-9-2-4-13(18)8(5-9)6-12-11-3-1-10(17)7-14(11)19-15(12)20/h1-7H,(H,19,20)
InChIKeyVFUGDEAEUMOTQU-UHFFFAOYSA-N
MW275.23 g/mol
LogP3.60
Rot. Bonds1

About 3-[(2,5-difluorophenyl)methylidene]-6-fluoro-1H-indol-2-one

3-[(2,5-difluorophenyl)methylidene]-6-fluoro-1H-indol-2-one (PubChem CID 66640531) has the molecular formula C15H8F3NO and a molecular weight of 275.23 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methylidene]-6-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methylidene]-6-fluoro-1H-indol-2-one
PubChem CID66640531
Molecular FormulaC15H8F3NO
Molecular Weight275.23 g/mol
Exact Mass275.06
IUPAC Name3-[(2,5-difluorophenyl)methylidene]-6-fluoro-1H-indol-2-one
SMILESO=C1Nc2cc(F)ccc2C1=Cc1cc(F)ccc1F
InChIInChI=1S/C15H8F3NO/c16-9-2-4-13(18)8(5-9)6-12-11-3-1-10(17)7-14(11)19-15(12)20/h1-7H,(H,19,20)
InChIKeyVFUGDEAEUMOTQU-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methylidene]-6-fluoro-1H-indol-2-one?
The IUPAC name of 3-[(2,5-difluorophenyl)methylidene]-6-fluoro-1H-indol-2-one (CID 66640531) is 3-[(2,5-difluorophenyl)methylidene]-6-fluoro-1H-indol-2-one.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methylidene]-6-fluoro-1H-indol-2-one?
The canonical SMILES for 3-[(2,5-difluorophenyl)methylidene]-6-fluoro-1H-indol-2-one is O=C1Nc2cc(F)ccc2C1=Cc1cc(F)ccc1F.
What is the InChIKey of 3-[(2,5-difluorophenyl)methylidene]-6-fluoro-1H-indol-2-one?
The InChIKey is VFUGDEAEUMOTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO/c16-9-2-4-13(18)8(5-9)6-12-11-3-1-10(17)7-14(11)19-15(12)20/h1-7H,(H,19,20).
What are the key properties of 3-[(2,5-difluorophenyl)methylidene]-6-fluoro-1H-indol-2-one?
3-[(2,5-difluorophenyl)methylidene]-6-fluoro-1H-indol-2-one has a molecular weight of 275.23 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methylidene]-6-fluoro-1H-indol-2-one is sourced from PubChem (CID 66640531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).