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

C24H16F4N2O4 — CID 59352089

IUPAC7'-fluoro-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESO=C1N(Cc2ncccc2C(F)(F)F)c2c(F)cccc2C12COc1cc3c(cc12)OCCO3
InChIInChI=1S/C24H16F4N2O4/c25-16-5-1-3-14-21(16)30(11-17-13(24(26,27)28)4-2-6-29-17)22(31)23(14)12-34-18-10-20-19(9-15(18)23)32-7-8-33-20/h1-6,9-10H,7-8,11-12H2
InChIKeyJHNXEILWIQQLAD-UHFFFAOYSA-N
MW472.39 g/mol
LogP4.24
Rot. Bonds2

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

7'-fluoro-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (PubChem CID 59352089) has the molecular formula C24H16F4N2O4 and a molecular weight of 472.39 g/mol. Its IUPAC name is 7'-fluoro-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.

Molecular Properties

Compound Name7'-fluoro-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
PubChem CID59352089
Molecular FormulaC24H16F4N2O4
Molecular Weight472.39 g/mol
Exact Mass472.10
IUPAC Name7'-fluoro-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESO=C1N(Cc2ncccc2C(F)(F)F)c2c(F)cccc2C12COc1cc3c(cc12)OCCO3
InChIInChI=1S/C24H16F4N2O4/c25-16-5-1-3-14-21(16)30(11-17-13(24(26,27)28)4-2-6-29-17)22(31)23(14)12-34-18-10-20-19(9-15(18)23)32-7-8-33-20/h1-6,9-10H,7-8,11-12H2
InChIKeyJHNXEILWIQQLAD-UHFFFAOYSA-N
XLogP4.24
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7'-fluoro-1'-[[3-(trifluoromethyl)-2-pyridinyl]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 7'-fluoro-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The IUPAC name of 7'-fluoro-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (CID 59352089) is 7'-fluoro-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.
What is the SMILES notation for 7'-fluoro-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The canonical SMILES for 7'-fluoro-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is O=C1N(Cc2ncccc2C(F)(F)F)c2c(F)cccc2C12COc1cc3c(cc12)OCCO3.
What is the InChIKey of 7'-fluoro-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The InChIKey is JHNXEILWIQQLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N2O4/c25-16-5-1-3-14-21(16)30(11-17-13(24(26,27)28)4-2-6-29-17)22(31)23(14)12-34-18-10-20-19(9-15(18)23)32-7-8-33-20/h1-6,9-10H,7-8,11-12H2.
What are the key properties of 7'-fluoro-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
7'-fluoro-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one has a molecular weight of 472.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-fluoro-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is sourced from PubChem (CID 59352089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).