(3Z)-3-[[3-(trifluoromethyl)phenyl]methylidene]-2-benzofuran-1-one

C16H9F3O2 — CID 678238

IUPAC(3Z)-3-[[3-(trifluoromethyl)phenyl]methylidene]-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C16H9F3O2/c17-16(18,19)11-5-3-4-10(8-11)9-14-12-6-1-2-7-13(12)15(20)21-14/h1-9H/b14-9-
InChIKeyBXZGUJACVBKPAA-ZROIWOOFSA-N
MW290.24 g/mol
LogP4.37
Rot. Bonds1

About (3Z)-3-[[3-(trifluoromethyl)phenyl]methylidene]-2-benzofuran-1-one

(3Z)-3-[[3-(trifluoromethyl)phenyl]methylidene]-2-benzofuran-1-one (PubChem CID 678238) has the molecular formula C16H9F3O2 and a molecular weight of 290.24 g/mol. Its IUPAC name is (3Z)-3-[[3-(trifluoromethyl)phenyl]methylidene]-2-benzofuran-1-one.

Molecular Properties

Compound Name(3Z)-3-[[3-(trifluoromethyl)phenyl]methylidene]-2-benzofuran-1-one
PubChem CID678238
Molecular FormulaC16H9F3O2
Molecular Weight290.24 g/mol
Exact Mass290.06
IUPAC Name(3Z)-3-[[3-(trifluoromethyl)phenyl]methylidene]-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C16H9F3O2/c17-16(18,19)11-5-3-4-10(8-11)9-14-12-6-1-2-7-13(12)15(20)21-14/h1-9H/b14-9-
InChIKeyBXZGUJACVBKPAA-ZROIWOOFSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[3-(trifluoromethyl)phenyl]methylidene]-2-benzofuran-1-one?
The IUPAC name of (3Z)-3-[[3-(trifluoromethyl)phenyl]methylidene]-2-benzofuran-1-one (CID 678238) is (3Z)-3-[[3-(trifluoromethyl)phenyl]methylidene]-2-benzofuran-1-one.
What is the SMILES notation for (3Z)-3-[[3-(trifluoromethyl)phenyl]methylidene]-2-benzofuran-1-one?
The canonical SMILES for (3Z)-3-[[3-(trifluoromethyl)phenyl]methylidene]-2-benzofuran-1-one is O=C1O/C(=C\c2cccc(C(F)(F)F)c2)c2ccccc21.
What is the InChIKey of (3Z)-3-[[3-(trifluoromethyl)phenyl]methylidene]-2-benzofuran-1-one?
The InChIKey is BXZGUJACVBKPAA-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H9F3O2/c17-16(18,19)11-5-3-4-10(8-11)9-14-12-6-1-2-7-13(12)15(20)21-14/h1-9H/b14-9-.
What are the key properties of (3Z)-3-[[3-(trifluoromethyl)phenyl]methylidene]-2-benzofuran-1-one?
(3Z)-3-[[3-(trifluoromethyl)phenyl]methylidene]-2-benzofuran-1-one has a molecular weight of 290.24 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[3-(trifluoromethyl)phenyl]methylidene]-2-benzofuran-1-one is sourced from PubChem (CID 678238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).