(3Z)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one

C20H12F3NO2 — CID 124672233

IUPAC(3Z)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H12F3NO2/c21-20(22,23)13-5-3-4-12(10-13)18-9-8-14(26-18)11-16-15-6-1-2-7-17(15)24-19(16)25/h1-11H,(H,24,25)/b16-11-
InChIKeyZJEVTXDTOFZNDI-WJDWOHSUSA-N
MW355.32 g/mol
LogP5.46
Rot. Bonds2

About (3Z)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one

(3Z)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one (PubChem CID 124672233) has the molecular formula C20H12F3NO2 and a molecular weight of 355.32 g/mol. Its IUPAC name is (3Z)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
PubChem CID124672233
Molecular FormulaC20H12F3NO2
Molecular Weight355.32 g/mol
Exact Mass355.08
IUPAC Name(3Z)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H12F3NO2/c21-20(22,23)13-5-3-4-12(10-13)18-9-8-14(26-18)11-16-15-6-1-2-7-17(15)24-19(16)25/h1-11H,(H,24,25)/b16-11-
InChIKeyZJEVTXDTOFZNDI-WJDWOHSUSA-N
XLogP5.46
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.32
LogP ≤ 55.46
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

(3E)-6-chloro-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
CID 66553955
3-[[5-[3-(aminomethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
CID 72539044
4-methyl-2,6-dioxo-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]pyridine-3-carbonitrile
CID 3952279
2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]imidazolidin-4-one
CID 4108905
1-cyclohexyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3951834
(5E)-1-(2-ethoxyphenyl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 126248889
methyl 4-[5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
CID 6532942
methyl 4-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
CID 4963846
ethyl 4-[5-[(E)-[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]furan-2-yl]benzoate
CID 21374061
(5E)-3-ethyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]imidazolidine-2,4-dione
CID 126231990
(4Z)-2-(2-methylphenyl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 2012835
N-[(1-methylpiperidin-2-yl)methyl]-3-[5-[(E)-[2-oxo-5-(trifluoromethyl)-1H-indol-3-ylidene]methyl]furan-2-yl]benzamide
CID 59190311

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one (CID 124672233) is (3Z)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of (3Z)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one?
The InChIKey is ZJEVTXDTOFZNDI-WJDWOHSUSA-N. The full InChI is InChI=1S/C20H12F3NO2/c21-20(22,23)13-5-3-4-12(10-13)18-9-8-14(26-18)11-16-15-6-1-2-7-17(15)24-19(16)25/h1-11H,(H,24,25)/b16-11-.
What are the key properties of (3Z)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one?
(3Z)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one has a molecular weight of 355.32 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 124672233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).