1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one

C21H14F3NO3 — CID 123976733

IUPAC1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESO=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2C12COc1ccccc12
InChIInChI=1S/C21H14F3NO3/c22-21(23,24)18-10-9-13(28-18)11-25-16-7-3-1-5-14(16)20(19(25)26)12-27-17-8-4-2-6-15(17)20/h1-10H,11-12H2
InChIKeyWVOXROWWXZWFDC-UHFFFAOYSA-N
MW385.34 g/mol
LogP4.52
Rot. Bonds2

About 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one

1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 123976733) has the molecular formula C21H14F3NO3 and a molecular weight of 385.34 g/mol. Its IUPAC name is 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID123976733
Molecular FormulaC21H14F3NO3
Molecular Weight385.34 g/mol
Exact Mass385.09
IUPAC Name1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESO=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2C12COc1ccccc12
InChIInChI=1S/C21H14F3NO3/c22-21(23,24)18-10-9-13(28-18)11-25-16-7-3-1-5-14(16)20(19(25)26)12-27-17-8-4-2-6-15(17)20/h1-10H,11-12H2
InChIKeyWVOXROWWXZWFDC-UHFFFAOYSA-N
XLogP4.52
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one with MolForge

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Related Compounds

2,3-Dihydroindol-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
CID 7958162
1-[(3-Methyl-1-benzofuran-2-yl)carbonyl]indoline
CID 1247770
N-(2-(furan-2-yl)-2-(indolin-1-yl)ethyl)-2-methoxybenzamide
CID 18577481
5,6-difluoro-1'-pentylspiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 11998468
5-fluoro-6-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352369
3-(methoxymethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9461196
1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 142502585
2-Indolinone, 3-(3-(dimethylamino)propyl)-1-(furfurylmethylamino)-3-phenyl-
CID 36453
1-(1-Benzofuran-2-ylmethyl)-5-iodoindole-2,3-dione
CID 44398022
(R)-1'-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydrospiro[furo[2,3-g][1,4]benzodioxine-8,3'-indol]-2'(1'H)-one
CID 51352118
1,3-Dihydro-1-methyl-3-(5-methyl-2-furanyl)-3-phenyl-2H-indol-2-one
CID 101572044
(4R)-4-(1-benzofuran-2-ylmethyl)-3,3-difluoro-1-phenylpyrrolidin-2-one
CID 139193702

Frequently Asked Questions

What is the IUPAC name of 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 123976733) is 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one is O=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2C12COc1ccccc12.
What is the InChIKey of 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is WVOXROWWXZWFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3NO3/c22-21(23,24)18-10-9-13(28-18)11-25-16-7-3-1-5-14(16)20(19(25)26)12-27-17-8-4-2-6-15(17)20/h1-10H,11-12H2.
What are the key properties of 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 385.34 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 123976733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).