7'-fluoro-1'-(oxolan-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one

C22H20FNO4 — CID 59352433

IUPAC7'-fluoro-1'-(oxolan-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
SMILESO=C1N(CC2CCCO2)c2c(F)cccc2C12COc1cc3c(cc12)CCO3
InChIInChI=1S/C22H20FNO4/c23-17-5-1-4-15-20(17)24(11-14-3-2-7-26-14)21(25)22(15)12-28-19-10-18-13(6-8-27-18)9-16(19)22/h1,4-5,9-10,14H,2-3,6-8,11-12H2
InChIKeyMVWYLLDNDHEGSA-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.96
Rot. Bonds2

About 7'-fluoro-1'-(oxolan-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one

7'-fluoro-1'-(oxolan-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one (PubChem CID 59352433) has the molecular formula C22H20FNO4 and a molecular weight of 381.40 g/mol. Its IUPAC name is 7'-fluoro-1'-(oxolan-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name7'-fluoro-1'-(oxolan-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
PubChem CID59352433
Molecular FormulaC22H20FNO4
Molecular Weight381.40 g/mol
Exact Mass381.14
IUPAC Name7'-fluoro-1'-(oxolan-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
SMILESO=C1N(CC2CCCO2)c2c(F)cccc2C12COc1cc3c(cc12)CCO3
InChIInChI=1S/C22H20FNO4/c23-17-5-1-4-15-20(17)24(11-14-3-2-7-26-14)21(25)22(15)12-28-19-10-18-13(6-8-27-18)9-16(19)22/h1,4-5,9-10,14H,2-3,6-8,11-12H2
InChIKeyMVWYLLDNDHEGSA-UHFFFAOYSA-N
XLogP2.96
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7'-fluoro-1'-(oxolan-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 7'-fluoro-1'-(oxolan-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one (CID 59352433) is 7'-fluoro-1'-(oxolan-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 7'-fluoro-1'-(oxolan-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 7'-fluoro-1'-(oxolan-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one is O=C1N(CC2CCCO2)c2c(F)cccc2C12COc1cc3c(cc12)CCO3.
What is the InChIKey of 7'-fluoro-1'-(oxolan-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The InChIKey is MVWYLLDNDHEGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO4/c23-17-5-1-4-15-20(17)24(11-14-3-2-7-26-14)21(25)22(15)12-28-19-10-18-13(6-8-27-18)9-16(19)22/h1,4-5,9-10,14H,2-3,6-8,11-12H2.
What are the key properties of 7'-fluoro-1'-(oxolan-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
7'-fluoro-1'-(oxolan-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one has a molecular weight of 381.40 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-fluoro-1'-(oxolan-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 59352433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).