2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione

C20H11FO3 — CID 5015439

IUPAC2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2ccc(-c3ccccc3F)o2)C(=O)c2ccccc21
InChIInChI=1S/C20H11FO3/c21-17-8-4-3-7-15(17)18-10-9-12(24-18)11-16-19(22)13-5-1-2-6-14(13)20(16)23/h1-11H
InChIKeyOWTQPSDBMCTRKD-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.55
Rot. Bonds2

About 2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione

2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione (PubChem CID 5015439) has the molecular formula C20H11FO3 and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione
PubChem CID5015439
Molecular FormulaC20H11FO3
Molecular Weight318.30 g/mol
Exact Mass318.07
IUPAC Name2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2ccc(-c3ccccc3F)o2)C(=O)c2ccccc21
InChIInChI=1S/C20H11FO3/c21-17-8-4-3-7-15(17)18-10-9-12(24-18)11-16-19(22)13-5-1-2-6-14(13)20(16)23/h1-11H
InChIKeyOWTQPSDBMCTRKD-UHFFFAOYSA-N
XLogP4.55
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione
CID 77040477
5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 4665185
4-[(4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide
CID 6505367
2-[[5-(3-acetyl-4-hydroxyphenyl)furan-2-yl]methylidene]indene-1,3-dione
CID 91010798
(Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid
CID 43839852
N-[(5E)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]propanamide
CID 5292308
2-chloro-4-[5-[(1,3-dioxoinden-2-ylidene)methyl]furan-2-yl]benzoic acid
CID 985055
2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 700355
2-[5-(2-fluorophenyl)furan-2-yl]ethanamine
CID 54775832
(4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-(furan-3-yl)-5-(methoxymethyl)pyrazol-3-one
CID 15978838
methyl 3-[5-[(1,3-dioxoinden-2-ylidene)methyl]furan-2-yl]benzoate
CID 126396802
4-[(4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-3-(furan-3-yl)-5-oxopyrazol-1-yl]benzoic acid
CID 71119914

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione?
The IUPAC name of 2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione (CID 5015439) is 2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione.
What is the SMILES notation for 2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione?
The canonical SMILES for 2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione is O=C1C(=Cc2ccc(-c3ccccc3F)o2)C(=O)c2ccccc21.
What is the InChIKey of 2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione?
The InChIKey is OWTQPSDBMCTRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11FO3/c21-17-8-4-3-7-15(17)18-10-9-12(24-18)11-16-19(22)13-5-1-2-6-14(13)20(16)23/h1-11H.
What are the key properties of 2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione?
2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione has a molecular weight of 318.30 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione is sourced from PubChem (CID 5015439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).