(3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one

C17H11FO2 — CID 5394659

IUPAC(3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one
SMILESO=C1OC(c2ccccc2)=C/C1=C\c1ccc(F)cc1
InChIInChI=1S/C17H11FO2/c18-15-8-6-12(7-9-15)10-14-11-16(20-17(14)19)13-4-2-1-3-5-13/h1-11H/b14-10+
InChIKeyVILQAXHKTGYIHG-GXDHUFHOSA-N
MW266.27 g/mol
LogP3.81
Rot. Bonds2

About (3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one

(3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one (PubChem CID 5394659) has the molecular formula C17H11FO2 and a molecular weight of 266.27 g/mol. Its IUPAC name is (3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one.

Molecular Properties

Compound Name(3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one
PubChem CID5394659
Molecular FormulaC17H11FO2
Molecular Weight266.27 g/mol
Exact Mass266.07
IUPAC Name(3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one
SMILESO=C1OC(c2ccccc2)=C/C1=C\c1ccc(F)cc1
InChIInChI=1S/C17H11FO2/c18-15-8-6-12(7-9-15)10-14-11-16(20-17(14)19)13-4-2-1-3-5-13/h1-11H/b14-10+
InChIKeyVILQAXHKTGYIHG-GXDHUFHOSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
CID 11984182
5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 5140371
(3Z)-5-(4-fluorophenyl)-3-[(3-hydroxyphenyl)methylidene]furan-2-one
CID 7316932
3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 3120319
(3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 785278
3-[(4-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one
CID 2936939
5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylidene]furan-2-one
CID 899734
methyl 4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]benzoate
CID 94845332
5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 3664986
(3Z)-3-[(4-butoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 2277451
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
(3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-5-(4-fluorophenyl)furan-2-one
CID 2185184

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one?
The IUPAC name of (3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one (CID 5394659) is (3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one.
What is the SMILES notation for (3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one?
The canonical SMILES for (3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one is O=C1OC(c2ccccc2)=C/C1=C\c1ccc(F)cc1.
What is the InChIKey of (3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one?
The InChIKey is VILQAXHKTGYIHG-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H11FO2/c18-15-8-6-12(7-9-15)10-14-11-16(20-17(14)19)13-4-2-1-3-5-13/h1-11H/b14-10+.
What are the key properties of (3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one?
(3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one has a molecular weight of 266.27 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one is sourced from PubChem (CID 5394659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).