(6aR)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol

C20H22FNO2 — CID 52939980

IUPAC(6aR)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
SMILESCCN1CCc2cc(OCCF)cc3c2[C@H]1Cc1cccc(O)c1-3
InChIInChI=1S/C20H22FNO2/c1-2-22-8-6-14-10-15(24-9-7-21)12-16-19(14)17(22)11-13-4-3-5-18(23)20(13)16/h3-5,10,12,17,23H,2,6-9,11H2,1H3/t17-/m1/s1
InChIKeyZAJYDMAAHSFWGH-QGZVFWFLSA-N
MW327.40 g/mol
LogP3.88
Rot. Bonds4

About (6aR)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol

(6aR)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol (PubChem CID 52939980) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is (6aR)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol.

Molecular Properties

Compound Name(6aR)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
PubChem CID52939980
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name(6aR)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
SMILESCCN1CCc2cc(OCCF)cc3c2[C@H]1Cc1cccc(O)c1-3
InChIInChI=1S/C20H22FNO2/c1-2-22-8-6-14-10-15(24-9-7-21)12-16-19(14)17(22)11-13-4-3-5-18(23)20(13)16/h3-5,10,12,17,23H,2,6-9,11H2,1H3/t17-/m1/s1
InChIKeyZAJYDMAAHSFWGH-QGZVFWFLSA-N
XLogP3.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6aR)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aR)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The IUPAC name of (6aR)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol (CID 52939980) is (6aR)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol.
What is the SMILES notation for (6aR)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The canonical SMILES for (6aR)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol is CCN1CCc2cc(OCCF)cc3c2[C@H]1Cc1cccc(O)c1-3.
What is the InChIKey of (6aR)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The InChIKey is ZAJYDMAAHSFWGH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-2-22-8-6-14-10-15(24-9-7-21)12-16-19(14)17(22)11-13-4-3-5-18(23)20(13)16/h3-5,10,12,17,23H,2,6-9,11H2,1H3/t17-/m1/s1.
What are the key properties of (6aR)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
(6aR)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol has a molecular weight of 327.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol is sourced from PubChem (CID 52939980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).