2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one

C19H10F2O2S — CID 700355

IUPAC2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
SMILESO=C1C(=Cc2ccc(-c3ccc(F)cc3F)o2)Sc2ccccc21
InChIInChI=1S/C19H10F2O2S/c20-11-5-7-13(15(21)9-11)16-8-6-12(23-16)10-18-19(22)14-3-1-2-4-17(14)24-18/h1-10H
InChIKeyFXNZBXAKIUUDOL-UHFFFAOYSA-N
MW340.35 g/mol
LogP5.55
Rot. Bonds2

About 2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one

2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one (PubChem CID 700355) has the molecular formula C19H10F2O2S and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one.

Molecular Properties

Compound Name2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
PubChem CID700355
Molecular FormulaC19H10F2O2S
Molecular Weight340.35 g/mol
Exact Mass340.04
IUPAC Name2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
SMILESO=C1C(=Cc2ccc(-c3ccc(F)cc3F)o2)Sc2ccccc21
InChIInChI=1S/C19H10F2O2S/c20-11-5-7-13(15(21)9-11)16-8-6-12(23-16)10-18-19(22)14-3-1-2-4-17(14)24-18/h1-10H
InChIKeyFXNZBXAKIUUDOL-UHFFFAOYSA-N
XLogP5.55
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.35
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_I(6)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 3104017
(2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 2243734
(2Z)-2-[[5-(4-phenyldiazenylphenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 50883720
methyl 2-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoate
CID 50883648
4-chloro-3-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoic acid
CID 176602237
2-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 4532460
(2Z)-2-[[5-(hydroxymethyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 138675424
(2Z)-2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 1001262
5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 21208584
N'-amino-2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzenecarboximidamide
CID 168893632
2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione
CID 5015439
3-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]-N-propan-2-ylbenzamide
CID 168893561

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one?
The IUPAC name of 2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one (CID 700355) is 2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one.
What is the SMILES notation for 2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one?
The canonical SMILES for 2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one is O=C1C(=Cc2ccc(-c3ccc(F)cc3F)o2)Sc2ccccc21.
What is the InChIKey of 2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one?
The InChIKey is FXNZBXAKIUUDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F2O2S/c20-11-5-7-13(15(21)9-11)16-8-6-12(23-16)10-18-19(22)14-3-1-2-4-17(14)24-18/h1-10H.
What are the key properties of 2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one?
2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one has a molecular weight of 340.35 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one is sourced from PubChem (CID 700355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).