(3E)-3-(3-bromo-2H-furan-5-ylidene)-6-fluoro-1H-indol-2-one

C12H7BrFNO2 — CID 58926075

IUPAC(3E)-3-(3-bromo-2H-furan-5-ylidene)-6-fluoro-1H-indol-2-one
SMILESO=C1Nc2cc(F)ccc2/C1=C1/C=C(Br)CO1
InChIInChI=1S/C12H7BrFNO2/c13-6-3-10(17-5-6)11-8-2-1-7(14)4-9(8)15-12(11)16/h1-4H,5H2,(H,15,16)/b11-10+
InChIKeyGGFSEDPJSLWIEB-ZHACJKMWSA-N
MW296.10 g/mol
LogP2.80
Rot. Bonds

About (3E)-3-(3-bromo-2H-furan-5-ylidene)-6-fluoro-1H-indol-2-one

(3E)-3-(3-bromo-2H-furan-5-ylidene)-6-fluoro-1H-indol-2-one (PubChem CID 58926075) has the molecular formula C12H7BrFNO2 and a molecular weight of 296.10 g/mol. Its IUPAC name is (3E)-3-(3-bromo-2H-furan-5-ylidene)-6-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-(3-bromo-2H-furan-5-ylidene)-6-fluoro-1H-indol-2-one
PubChem CID58926075
Molecular FormulaC12H7BrFNO2
Molecular Weight296.10 g/mol
Exact Mass294.96
IUPAC Name(3E)-3-(3-bromo-2H-furan-5-ylidene)-6-fluoro-1H-indol-2-one
SMILESO=C1Nc2cc(F)ccc2/C1=C1/C=C(Br)CO1
InChIInChI=1S/C12H7BrFNO2/c13-6-3-10(17-5-6)11-8-2-1-7(14)4-9(8)15-12(11)16/h1-4H,5H2,(H,15,16)/b11-10+
InChIKeyGGFSEDPJSLWIEB-ZHACJKMWSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.10
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 147616014
CID 147616014
3-[3-(1,3-benzodioxol-5-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one
CID 69449557
(3E)-3-[3-(1,3-benzodioxol-5-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one
CID 58926387
(3E)-3-[3-(1-benzothiophen-3-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one
CID 58926121
6-fluoro-3-[3-[2-methoxyethyl(methyl)amino]-2H-furan-5-ylidene]-1H-indol-2-one
CID 69420324
N-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2H-furan-3-yl]phenyl]methanesulfonamide
CID 58926088
CID 149362037
CID 149362037
(3E)-6-fluoro-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2H-furan-5-ylidene]-1H-indol-2-one
CID 24964165
(1E)-1-(6-fluoro-2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-carboxylic acid
CID 58586290
2-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]phenyl]acetic acid
CID 58926197
(3E)-3-(4-bromo-5,5-dimethylfuran-2-ylidene)-5-fluoro-1H-indol-2-one
CID 58926327
4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]benzaldehyde
CID 58926440

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(3-bromo-2H-furan-5-ylidene)-6-fluoro-1H-indol-2-one?
The IUPAC name of (3E)-3-(3-bromo-2H-furan-5-ylidene)-6-fluoro-1H-indol-2-one (CID 58926075) is (3E)-3-(3-bromo-2H-furan-5-ylidene)-6-fluoro-1H-indol-2-one.
What is the SMILES notation for (3E)-3-(3-bromo-2H-furan-5-ylidene)-6-fluoro-1H-indol-2-one?
The canonical SMILES for (3E)-3-(3-bromo-2H-furan-5-ylidene)-6-fluoro-1H-indol-2-one is O=C1Nc2cc(F)ccc2/C1=C1/C=C(Br)CO1.
What is the InChIKey of (3E)-3-(3-bromo-2H-furan-5-ylidene)-6-fluoro-1H-indol-2-one?
The InChIKey is GGFSEDPJSLWIEB-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H7BrFNO2/c13-6-3-10(17-5-6)11-8-2-1-7(14)4-9(8)15-12(11)16/h1-4H,5H2,(H,15,16)/b11-10+.
What are the key properties of (3E)-3-(3-bromo-2H-furan-5-ylidene)-6-fluoro-1H-indol-2-one?
(3E)-3-(3-bromo-2H-furan-5-ylidene)-6-fluoro-1H-indol-2-one has a molecular weight of 296.10 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(3-bromo-2H-furan-5-ylidene)-6-fluoro-1H-indol-2-one is sourced from PubChem (CID 58926075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).