8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one

C25H26F3NO3 — CID 54587775

IUPAC8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one
SMILESCCN(CC)CCOc1ccc2c(c1)C(C)(C)c1oc3cc(C(F)(F)F)ccc3c1C2=O
InChIInChI=1S/C25H26F3NO3/c1-5-29(6-2)11-12-31-16-8-10-17-19(14-16)24(3,4)23-21(22(17)30)18-9-7-15(25(26,27)28)13-20(18)32-23/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyNLNVEQTXFMQFOE-UHFFFAOYSA-N
MW445.48 g/mol
LogP6.04
Rot. Bonds6

About 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one

8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one (PubChem CID 54587775) has the molecular formula C25H26F3NO3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one.

Molecular Properties

Compound Name8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one
PubChem CID54587775
Molecular FormulaC25H26F3NO3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one
SMILESCCN(CC)CCOc1ccc2c(c1)C(C)(C)c1oc3cc(C(F)(F)F)ccc3c1C2=O
InChIInChI=1S/C25H26F3NO3/c1-5-29(6-2)11-12-31-16-8-10-17-19(14-16)24(3,4)23-21(22(17)30)18-9-7-15(25(26,27)28)13-20(18)32-23/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyNLNVEQTXFMQFOE-UHFFFAOYSA-N
XLogP6.04
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.48
LogP ≤ 56.04
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]-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one?
The IUPAC name of 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one (CID 54587775) is 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one.
What is the SMILES notation for 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one?
The canonical SMILES for 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one is CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1oc3cc(C(F)(F)F)ccc3c1C2=O.
What is the InChIKey of 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one?
The InChIKey is NLNVEQTXFMQFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3NO3/c1-5-29(6-2)11-12-31-16-8-10-17-19(14-16)24(3,4)23-21(22(17)30)18-9-7-15(25(26,27)28)13-20(18)32-23/h7-10,13-14H,5-6,11-12H2,1-4H3.
What are the key properties of 8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one?
8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one has a molecular weight of 445.48 g/mol, XLogP of 6.04, 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]-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one is sourced from PubChem (CID 54587775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).