(3Z)-3-[(3,5-difluorophenyl)methylidene]-2-benzofuran-1-one

C15H8F2O2 — CID 15892031

IUPAC(3Z)-3-[(3,5-difluorophenyl)methylidene]-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2cc(F)cc(F)c2)c2ccccc21
InChIInChI=1S/C15H8F2O2/c16-10-5-9(6-11(17)8-10)7-14-12-3-1-2-4-13(12)15(18)19-14/h1-8H/b14-7-
InChIKeyWUBPZAPRFGPXRB-AUWJEWJLSA-N
MW258.22 g/mol
LogP3.63
Rot. Bonds1

About (3Z)-3-[(3,5-difluorophenyl)methylidene]-2-benzofuran-1-one

(3Z)-3-[(3,5-difluorophenyl)methylidene]-2-benzofuran-1-one (PubChem CID 15892031) has the molecular formula C15H8F2O2 and a molecular weight of 258.22 g/mol. Its IUPAC name is (3Z)-3-[(3,5-difluorophenyl)methylidene]-2-benzofuran-1-one.

Molecular Properties

Compound Name(3Z)-3-[(3,5-difluorophenyl)methylidene]-2-benzofuran-1-one
PubChem CID15892031
Molecular FormulaC15H8F2O2
Molecular Weight258.22 g/mol
Exact Mass258.05
IUPAC Name(3Z)-3-[(3,5-difluorophenyl)methylidene]-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2cc(F)cc(F)c2)c2ccccc21
InChIInChI=1S/C15H8F2O2/c16-10-5-9(6-11(17)8-10)7-14-12-3-1-2-4-13(12)15(18)19-14/h1-8H/b14-7-
InChIKeyWUBPZAPRFGPXRB-AUWJEWJLSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[(3-amino-4-fluorophenyl)methylidene]-2-benzofuran-1-one
CID 18444356
CID 145477099
CID 145477099
2-fluoro-5-[(3-oxo-2-benzofuran-1-ylidene)methyl]benzoic acid
CID 78121297
2-fluoro-5-[(E)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoic acid
CID 163197494
(3Z)-3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one
CID 58823946
(3E)-3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one
CID 18444361
3-[(4-tert-butylphenyl)methylidene]-2-benzofuran-1-one
CID 156772308
3-[(2-methyl-4-pyridinyl)methylidene]-2-benzofuran-1-one
CID 85442188
3-(1,3-benzodioxol-5-ylmethylidene)-2-benzofuran-1-one
CID 71353553
(3Z)-3-[(3-fluorophenyl)methylidene]-6-nitro-2-benzofuran-1-one
CID 169090867
3-(bromomethylidene)-2-benzofuran-1-one
CID 74390240
4-[(3-oxo-2-benzofuran-1-ylidene)methyl]pyridine-2-carbonitrile
CID 72556329

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3,5-difluorophenyl)methylidene]-2-benzofuran-1-one?
The IUPAC name of (3Z)-3-[(3,5-difluorophenyl)methylidene]-2-benzofuran-1-one (CID 15892031) is (3Z)-3-[(3,5-difluorophenyl)methylidene]-2-benzofuran-1-one.
What is the SMILES notation for (3Z)-3-[(3,5-difluorophenyl)methylidene]-2-benzofuran-1-one?
The canonical SMILES for (3Z)-3-[(3,5-difluorophenyl)methylidene]-2-benzofuran-1-one is O=C1O/C(=C\c2cc(F)cc(F)c2)c2ccccc21.
What is the InChIKey of (3Z)-3-[(3,5-difluorophenyl)methylidene]-2-benzofuran-1-one?
The InChIKey is WUBPZAPRFGPXRB-AUWJEWJLSA-N. The full InChI is InChI=1S/C15H8F2O2/c16-10-5-9(6-11(17)8-10)7-14-12-3-1-2-4-13(12)15(18)19-14/h1-8H/b14-7-.
What are the key properties of (3Z)-3-[(3,5-difluorophenyl)methylidene]-2-benzofuran-1-one?
(3Z)-3-[(3,5-difluorophenyl)methylidene]-2-benzofuran-1-one has a molecular weight of 258.22 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3,5-difluorophenyl)methylidene]-2-benzofuran-1-one is sourced from PubChem (CID 15892031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).