5-fluoro-7,7-dimethyl-8-(1-methylpiperidin-4-yl)-3,6-dihydro-2H-cyclopenta[g][1]benzofuran-8-ol

C19H26FNO2 — CID 11681284

IUPAC5-fluoro-7,7-dimethyl-8-(1-methylpiperidin-4-yl)-3,6-dihydro-2H-cyclopenta[g][1]benzofuran-8-ol
SMILESCN1CCC(C2(O)c3c(c(F)cc4c3OCC4)CC2(C)C)CC1
InChIInChI=1S/C19H26FNO2/c1-18(2)11-14-15(20)10-12-6-9-23-17(12)16(14)19(18,22)13-4-7-21(3)8-5-13/h10,13,22H,4-9,11H2,1-3H3
InChIKeySGYSATZYIAMOBZ-UHFFFAOYSA-N
MW319.42 g/mol
LogP2.87
Rot. Bonds1

About 5-fluoro-7,7-dimethyl-8-(1-methylpiperidin-4-yl)-3,6-dihydro-2H-cyclopenta[g][1]benzofuran-8-ol

5-fluoro-7,7-dimethyl-8-(1-methylpiperidin-4-yl)-3,6-dihydro-2H-cyclopenta[g][1]benzofuran-8-ol (PubChem CID 11681284) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is 5-fluoro-7,7-dimethyl-8-(1-methylpiperidin-4-yl)-3,6-dihydro-2H-cyclopenta[g][1]benzofuran-8-ol.

Molecular Properties

Compound Name5-fluoro-7,7-dimethyl-8-(1-methylpiperidin-4-yl)-3,6-dihydro-2H-cyclopenta[g][1]benzofuran-8-ol
PubChem CID11681284
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Name5-fluoro-7,7-dimethyl-8-(1-methylpiperidin-4-yl)-3,6-dihydro-2H-cyclopenta[g][1]benzofuran-8-ol
SMILESCN1CCC(C2(O)c3c(c(F)cc4c3OCC4)CC2(C)C)CC1
InChIInChI=1S/C19H26FNO2/c1-18(2)11-14-15(20)10-12-6-9-23-17(12)16(14)19(18,22)13-4-7-21(3)8-5-13/h10,13,22H,4-9,11H2,1-3H3
InChIKeySGYSATZYIAMOBZ-UHFFFAOYSA-N
XLogP2.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7,7-dimethyl-8-(1-methylpiperidin-4-yl)-3,6-dihydro-2H-cyclopenta[g][1]benzofuran-8-ol?
The IUPAC name of 5-fluoro-7,7-dimethyl-8-(1-methylpiperidin-4-yl)-3,6-dihydro-2H-cyclopenta[g][1]benzofuran-8-ol (CID 11681284) is 5-fluoro-7,7-dimethyl-8-(1-methylpiperidin-4-yl)-3,6-dihydro-2H-cyclopenta[g][1]benzofuran-8-ol.
What is the SMILES notation for 5-fluoro-7,7-dimethyl-8-(1-methylpiperidin-4-yl)-3,6-dihydro-2H-cyclopenta[g][1]benzofuran-8-ol?
The canonical SMILES for 5-fluoro-7,7-dimethyl-8-(1-methylpiperidin-4-yl)-3,6-dihydro-2H-cyclopenta[g][1]benzofuran-8-ol is CN1CCC(C2(O)c3c(c(F)cc4c3OCC4)CC2(C)C)CC1.
What is the InChIKey of 5-fluoro-7,7-dimethyl-8-(1-methylpiperidin-4-yl)-3,6-dihydro-2H-cyclopenta[g][1]benzofuran-8-ol?
The InChIKey is SGYSATZYIAMOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO2/c1-18(2)11-14-15(20)10-12-6-9-23-17(12)16(14)19(18,22)13-4-7-21(3)8-5-13/h10,13,22H,4-9,11H2,1-3H3.
What are the key properties of 5-fluoro-7,7-dimethyl-8-(1-methylpiperidin-4-yl)-3,6-dihydro-2H-cyclopenta[g][1]benzofuran-8-ol?
5-fluoro-7,7-dimethyl-8-(1-methylpiperidin-4-yl)-3,6-dihydro-2H-cyclopenta[g][1]benzofuran-8-ol has a molecular weight of 319.42 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7,7-dimethyl-8-(1-methylpiperidin-4-yl)-3,6-dihydro-2H-cyclopenta[g][1]benzofuran-8-ol is sourced from PubChem (CID 11681284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).