1'-(trifluoromethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

C17H10F3NO4 — CID 68599447

IUPAC1'-(trifluoromethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESO=C1N(C(F)(F)F)c2ccccc2C12COc1cc3c(cc12)OCO3
InChIInChI=1S/C17H10F3NO4/c18-17(19,20)21-11-4-2-1-3-9(11)16(15(21)22)7-23-12-6-14-13(5-10(12)16)24-8-25-14/h1-6H,7-8H2
InChIKeyRHCVDADSZWPIHO-UHFFFAOYSA-N
MW349.26 g/mol
LogP2.96
Rot. Bonds

About 1'-(trifluoromethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

1'-(trifluoromethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (PubChem CID 68599447) has the molecular formula C17H10F3NO4 and a molecular weight of 349.26 g/mol. Its IUPAC name is 1'-(trifluoromethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(trifluoromethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
PubChem CID68599447
Molecular FormulaC17H10F3NO4
Molecular Weight349.26 g/mol
Exact Mass349.06
IUPAC Name1'-(trifluoromethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESO=C1N(C(F)(F)F)c2ccccc2C12COc1cc3c(cc12)OCO3
InChIInChI=1S/C17H10F3NO4/c18-17(19,20)21-11-4-2-1-3-9(11)16(15(21)22)7-23-12-6-14-13(5-10(12)16)24-8-25-14/h1-6H,7-8H2
InChIKeyRHCVDADSZWPIHO-UHFFFAOYSA-N
XLogP2.96
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1'-(4,4,4-trifluorobutyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66641983
1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 51357549
1'-[[3-hydroxy-5-(trifluoromethyl)thiophen-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263511
1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642072
1'-(thiophen-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263336
1'-[3-(dibenzylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66643379
4-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)butanenitrile
CID 66642446
1'-[(E)-3-cyclopropylprop-1-enyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 143309442
N-methyl-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N-phenylacetamide
CID 66642704
1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642705
1,4-dioxane;(8R)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 143977132
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

Frequently Asked Questions

What is the IUPAC name of 1'-(trifluoromethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The IUPAC name of 1'-(trifluoromethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (CID 68599447) is 1'-(trifluoromethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.
What is the SMILES notation for 1'-(trifluoromethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The canonical SMILES for 1'-(trifluoromethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is O=C1N(C(F)(F)F)c2ccccc2C12COc1cc3c(cc12)OCO3.
What is the InChIKey of 1'-(trifluoromethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The InChIKey is RHCVDADSZWPIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO4/c18-17(19,20)21-11-4-2-1-3-9(11)16(15(21)22)7-23-12-6-14-13(5-10(12)16)24-8-25-14/h1-6H,7-8H2.
What are the key properties of 1'-(trifluoromethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
1'-(trifluoromethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one has a molecular weight of 349.26 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(trifluoromethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is sourced from PubChem (CID 68599447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).