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

C22H15F4NO4 — CID 59352139

IUPAC6-fluoro-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCOc1cc2c(cc1F)OCC21C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21
InChIInChI=1S/C22H15F4NO4/c1-29-18-8-14-17(9-15(18)23)30-11-21(14)13-4-2-3-5-16(13)27(20(21)28)10-12-6-7-19(31-12)22(24,25)26/h2-9H,10-11H2,1H3
InChIKeyGAWHPUWUQMUOOQ-UHFFFAOYSA-N
MW433.36 g/mol
LogP4.67
Rot. Bonds3

About 6-fluoro-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one

6-fluoro-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 59352139) has the molecular formula C22H15F4NO4 and a molecular weight of 433.36 g/mol. Its IUPAC name is 6-fluoro-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name6-fluoro-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID59352139
Molecular FormulaC22H15F4NO4
Molecular Weight433.36 g/mol
Exact Mass433.09
IUPAC Name6-fluoro-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCOc1cc2c(cc1F)OCC21C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21
InChIInChI=1S/C22H15F4NO4/c1-29-18-8-14-17(9-15(18)23)30-11-21(14)13-4-2-3-5-16(13)27(20(21)28)10-12-6-7-19(31-12)22(24,25)26/h2-9H,10-11H2,1H3
InChIKeyGAWHPUWUQMUOOQ-UHFFFAOYSA-N
XLogP4.67
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one with MolForge

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Related Compounds

1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 51357549
6-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2,3-dihydro-[1,4]dioxino[2,3-f]indole-8,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-7-one
CID 59352361
6,7-diethoxy-2,2-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-chromene-4,3'-indole]-2'-one
CID 56967168
4'-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263526
1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one
CID 46195425
7,7-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,6-dihydro-2H-furo[3,2-g]chromene-5,3'-indole]-2'-one
CID 56967283
1'-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352276
methyl 5-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]furan-2-carboxylate
CID 59352736
(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yloxymethyl)-3-methyl-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one
CID 118123537
1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-indole]-2',4-dione
CID 25224418
N,N-dimethyl-5-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-2-(trifluoromethyl)furan-3-carboxamide
CID 59352465
1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352709

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 6-fluoro-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 59352139) is 6-fluoro-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 6-fluoro-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 6-fluoro-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one is COc1cc2c(cc1F)OCC21C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21.
What is the InChIKey of 6-fluoro-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is GAWHPUWUQMUOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4NO4/c1-29-18-8-14-17(9-15(18)23)30-11-21(14)13-4-2-3-5-16(13)27(20(21)28)10-12-6-7-19(31-12)22(24,25)26/h2-9H,10-11H2,1H3.
What are the key properties of 6-fluoro-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
6-fluoro-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 433.36 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 59352139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).