(8R)-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one

C23H16F3NO5 — CID 51352118

IUPAC(8R)-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESO=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2[C@@]12COc1cc3c(cc12)OCCO3
InChIInChI=1S/C23H16F3NO5/c24-23(25,26)20-6-5-13(32-20)11-27-16-4-2-1-3-14(16)22(21(27)28)12-31-17-10-19-18(9-15(17)22)29-7-8-30-19/h1-6,9-10H,7-8,11-12H2/t22-/m1/s1
InChIKeyGOYMEMMMRYGXSI-JOCHJYFZSA-N
MW443.38 g/mol
LogP4.29
Rot. Bonds2

About (8R)-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one

(8R)-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (PubChem CID 51352118) has the molecular formula C23H16F3NO5 and a molecular weight of 443.38 g/mol. Its IUPAC name is (8R)-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.

Molecular Properties

Compound Name(8R)-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
PubChem CID51352118
Molecular FormulaC23H16F3NO5
Molecular Weight443.38 g/mol
Exact Mass443.10
IUPAC Name(8R)-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESO=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2[C@@]12COc1cc3c(cc12)OCCO3
InChIInChI=1S/C23H16F3NO5/c24-23(25,26)20-6-5-13(32-20)11-27-16-4-2-1-3-14(16)22(21(27)28)12-31-17-10-19-18(9-15(17)22)29-7-8-30-19/h1-6,9-10H,7-8,11-12H2/t22-/m1/s1
InChIKeyGOYMEMMMRYGXSI-JOCHJYFZSA-N
XLogP4.29
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8R)-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8R)-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The IUPAC name of (8R)-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (CID 51352118) is (8R)-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.
What is the SMILES notation for (8R)-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The canonical SMILES for (8R)-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is O=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2[C@@]12COc1cc3c(cc12)OCCO3.
What is the InChIKey of (8R)-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The InChIKey is GOYMEMMMRYGXSI-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H16F3NO5/c24-23(25,26)20-6-5-13(32-20)11-27-16-4-2-1-3-14(16)22(21(27)28)12-31-17-10-19-18(9-15(17)22)29-7-8-30-19/h1-6,9-10H,7-8,11-12H2/t22-/m1/s1.
What are the key properties of (8R)-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
(8R)-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one has a molecular weight of 443.38 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is sourced from PubChem (CID 51352118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).