8-[2-(diethylamino)ethoxy]-3-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one

C24H26FNO3 — CID 54586750

IUPAC8-[2-(diethylamino)ethoxy]-3-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
SMILESCCN(CC)CCOc1ccc2c(c1)C(C)(C)c1oc3cc(F)ccc3c1C2=O
InChIInChI=1S/C24H26FNO3/c1-5-26(6-2)11-12-28-16-8-10-17-19(14-16)24(3,4)23-21(22(17)27)18-9-7-15(25)13-20(18)29-23/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyBMFMCLIAGZMRNO-UHFFFAOYSA-N
MW395.47 g/mol
LogP5.16
Rot. Bonds6

About 8-[2-(diethylamino)ethoxy]-3-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one

8-[2-(diethylamino)ethoxy]-3-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one (PubChem CID 54586750) has the molecular formula C24H26FNO3 and a molecular weight of 395.47 g/mol. Its IUPAC name is 8-[2-(diethylamino)ethoxy]-3-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one.

Molecular Properties

Compound Name8-[2-(diethylamino)ethoxy]-3-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
PubChem CID54586750
Molecular FormulaC24H26FNO3
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name8-[2-(diethylamino)ethoxy]-3-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
SMILESCCN(CC)CCOc1ccc2c(c1)C(C)(C)c1oc3cc(F)ccc3c1C2=O
InChIInChI=1S/C24H26FNO3/c1-5-26(6-2)11-12-28-16-8-10-17-19(14-16)24(3,4)23-21(22(17)27)18-9-7-15(25)13-20(18)29-23/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyBMFMCLIAGZMRNO-UHFFFAOYSA-N
XLogP5.16
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(diethylamino)ethoxy]-3-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
The IUPAC name of 8-[2-(diethylamino)ethoxy]-3-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one (CID 54586750) is 8-[2-(diethylamino)ethoxy]-3-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one.
What is the SMILES notation for 8-[2-(diethylamino)ethoxy]-3-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
The canonical SMILES for 8-[2-(diethylamino)ethoxy]-3-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one is CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1oc3cc(F)ccc3c1C2=O.
What is the InChIKey of 8-[2-(diethylamino)ethoxy]-3-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
The InChIKey is BMFMCLIAGZMRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO3/c1-5-26(6-2)11-12-28-16-8-10-17-19(14-16)24(3,4)23-21(22(17)27)18-9-7-15(25)13-20(18)29-23/h7-10,13-14H,5-6,11-12H2,1-4H3.
What are the key properties of 8-[2-(diethylamino)ethoxy]-3-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
8-[2-(diethylamino)ethoxy]-3-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one has a molecular weight of 395.47 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(diethylamino)ethoxy]-3-fluoro-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one is sourced from PubChem (CID 54586750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).