1-[[3-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]

C25H20F3NO3 — CID 67357144

IUPAC1-[[3-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
SMILESFC(F)(F)c1cccc(CN2CC3(COc4cc5c(cc43)OCCO5)c3ccccc32)c1
InChIInChI=1S/C25H20F3NO3/c26-25(27,28)17-5-3-4-16(10-17)13-29-14-24(18-6-1-2-7-20(18)29)15-32-21-12-23-22(11-19(21)24)30-8-9-31-23/h1-7,10-12H,8-9,13-15H2
InChIKeyYGHMOJAXQDERNT-UHFFFAOYSA-N
MW439.43 g/mol
LogP5.18
Rot. Bonds2

About 1-[[3-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]

1-[[3-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] (PubChem CID 67357144) has the molecular formula C25H20F3NO3 and a molecular weight of 439.43 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine].

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
PubChem CID67357144
Molecular FormulaC25H20F3NO3
Molecular Weight439.43 g/mol
Exact Mass439.14
IUPAC Name1-[[3-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
SMILESFC(F)(F)c1cccc(CN2CC3(COc4cc5c(cc43)OCCO5)c3ccccc32)c1
InChIInChI=1S/C25H20F3NO3/c26-25(27,28)17-5-3-4-16(10-17)13-29-14-24(18-6-1-2-7-20(18)29)15-32-21-12-23-22(11-19(21)24)30-8-9-31-23/h1-7,10-12H,8-9,13-15H2
InChIKeyYGHMOJAXQDERNT-UHFFFAOYSA-N
XLogP5.18
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.43
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]?
The IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] (CID 67357144) is 1-[[3-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine].
What is the SMILES notation for 1-[[3-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]?
The canonical SMILES for 1-[[3-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] is FC(F)(F)c1cccc(CN2CC3(COc4cc5c(cc43)OCCO5)c3ccccc32)c1.
What is the InChIKey of 1-[[3-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]?
The InChIKey is YGHMOJAXQDERNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3NO3/c26-25(27,28)17-5-3-4-16(10-17)13-29-14-24(18-6-1-2-7-20(18)29)15-32-21-12-23-22(11-19(21)24)30-8-9-31-23/h1-7,10-12H,8-9,13-15H2.
What are the key properties of 1-[[3-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]?
1-[[3-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] has a molecular weight of 439.43 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] is sourced from PubChem (CID 67357144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).