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

C25H18F3NO5 — CID 59352440

IUPAC1'-[[3-(trifluoromethoxy)phenyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESO=C1N(Cc2cccc(OC(F)(F)F)c2)c2ccccc2C12COc1cc3c(cc12)OCCO3
InChIInChI=1S/C25H18F3NO5/c26-25(27,28)34-16-5-3-4-15(10-16)13-29-19-7-2-1-6-17(19)24(23(29)30)14-33-20-12-22-21(11-18(20)24)31-8-9-32-22/h1-7,10-12H,8-9,13-14H2
InChIKeyABQUTAHLGSABDR-UHFFFAOYSA-N
MW469.42 g/mol
LogP4.58
Rot. Bonds3

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

1'-[[3-(trifluoromethoxy)phenyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (PubChem CID 59352440) has the molecular formula C25H18F3NO5 and a molecular weight of 469.42 g/mol. Its IUPAC name is 1'-[[3-(trifluoromethoxy)phenyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[[3-(trifluoromethoxy)phenyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
PubChem CID59352440
Molecular FormulaC25H18F3NO5
Molecular Weight469.42 g/mol
Exact Mass469.11
IUPAC Name1'-[[3-(trifluoromethoxy)phenyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESO=C1N(Cc2cccc(OC(F)(F)F)c2)c2ccccc2C12COc1cc3c(cc12)OCCO3
InChIInChI=1S/C25H18F3NO5/c26-25(27,28)34-16-5-3-4-15(10-16)13-29-19-7-2-1-6-17(19)24(23(29)30)14-33-20-12-22-21(11-18(20)24)31-8-9-32-22/h1-7,10-12H,8-9,13-14H2
InChIKeyABQUTAHLGSABDR-UHFFFAOYSA-N
XLogP4.58
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(pyridin-3-ylmethyl)-6-(trifluoromethoxy)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59263507
1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352709
3-[[(8S)-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl]methyl]benzonitrile
CID 59352084
1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352459
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
(8S)-1'-(pyrimidin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352095
2-[3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]phenoxy]acetyl chloride
CID 87100165
1'-[(2-fluoro-6-methylphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 71036140
1'-(pyridin-2-ylmethyl)-6-(trifluoromethoxy)spiro[2H-1-benzofuran-3,3'-indole]-2'-one;hydrochloride
CID 66642616
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
(8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 58224165
1'-[(1-methyl-6-oxo-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263496

Frequently Asked Questions

What is the IUPAC name of 1'-[[3-(trifluoromethoxy)phenyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The IUPAC name of 1'-[[3-(trifluoromethoxy)phenyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (CID 59352440) is 1'-[[3-(trifluoromethoxy)phenyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.
What is the SMILES notation for 1'-[[3-(trifluoromethoxy)phenyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The canonical SMILES for 1'-[[3-(trifluoromethoxy)phenyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is O=C1N(Cc2cccc(OC(F)(F)F)c2)c2ccccc2C12COc1cc3c(cc12)OCCO3.
What is the InChIKey of 1'-[[3-(trifluoromethoxy)phenyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The InChIKey is ABQUTAHLGSABDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3NO5/c26-25(27,28)34-16-5-3-4-15(10-16)13-29-19-7-2-1-6-17(19)24(23(29)30)14-33-20-12-22-21(11-18(20)24)31-8-9-32-22/h1-7,10-12H,8-9,13-14H2.
What are the key properties of 1'-[[3-(trifluoromethoxy)phenyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
1'-[[3-(trifluoromethoxy)phenyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one has a molecular weight of 469.42 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[3-(trifluoromethoxy)phenyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is sourced from PubChem (CID 59352440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).