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

C21H12F5NO3 — CID 59352237

IUPAC5,6-difluoro-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESO=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2C12COc1cc(F)c(F)cc12
InChIInChI=1S/C21H12F5NO3/c22-14-7-13-17(8-15(14)23)29-10-20(13)12-3-1-2-4-16(12)27(19(20)28)9-11-5-6-18(30-11)21(24,25)26/h1-8H,9-10H2
InChIKeyQCBGKFAQMKNYOS-UHFFFAOYSA-N
MW421.32 g/mol
LogP4.80
Rot. Bonds2

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

5,6-difluoro-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 59352237) has the molecular formula C21H12F5NO3 and a molecular weight of 421.32 g/mol. Its IUPAC name is 5,6-difluoro-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name5,6-difluoro-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID59352237
Molecular FormulaC21H12F5NO3
Molecular Weight421.32 g/mol
Exact Mass421.07
IUPAC Name5,6-difluoro-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESO=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2C12COc1cc(F)c(F)cc12
InChIInChI=1S/C21H12F5NO3/c22-14-7-13-17(8-15(14)23)29-10-20(13)12-3-1-2-4-16(12)27(19(20)28)9-11-5-6-18(30-11)21(24,25)26/h1-8H,9-10H2
InChIKeyQCBGKFAQMKNYOS-UHFFFAOYSA-N
XLogP4.80
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 5,6-difluoro-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 59352237) is 5,6-difluoro-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 5,6-difluoro-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 5,6-difluoro-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)c2ccccc2C12COc1cc(F)c(F)cc12.
What is the InChIKey of 5,6-difluoro-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is QCBGKFAQMKNYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F5NO3/c22-14-7-13-17(8-15(14)23)29-10-20(13)12-3-1-2-4-16(12)27(19(20)28)9-11-5-6-18(30-11)21(24,25)26/h1-8H,9-10H2.
What are the key properties of 5,6-difluoro-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
5,6-difluoro-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 421.32 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 59352237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).