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

C18H17F2NO2 — CID 175794253

IUPAC11-(2,2-difluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
SMILESOc1cc2c3c(c1)-c1c(cccc1OCC(F)F)CC3NCC2
InChIInChI=1S/C18H17F2NO2/c19-16(20)9-23-15-3-1-2-10-7-14-17-11(4-5-21-14)6-12(22)8-13(17)18(10)15/h1-3,6,8,14,16,21-22H,4-5,7,9H2
InChIKeyKSTPNFWIIZKLST-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.45
Rot. Bonds3

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

11-(2,2-difluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol (PubChem CID 175794253) has the molecular formula C18H17F2NO2 and a molecular weight of 317.34 g/mol. Its IUPAC name is 11-(2,2-difluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol.

Molecular Properties

Compound Name11-(2,2-difluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
PubChem CID175794253
Molecular FormulaC18H17F2NO2
Molecular Weight317.34 g/mol
Exact Mass317.12
IUPAC Name11-(2,2-difluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
SMILESOc1cc2c3c(c1)-c1c(cccc1OCC(F)F)CC3NCC2
InChIInChI=1S/C18H17F2NO2/c19-16(20)9-23-15-3-1-2-10-7-14-17-11(4-5-21-14)6-12(22)8-13(17)18(10)15/h1-3,6,8,14,16,21-22H,4-5,7,9H2
InChIKeyKSTPNFWIIZKLST-UHFFFAOYSA-N
XLogP3.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

11-(2-methylprop-2-enoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol;hydrochloride
CID 175794277
(6aR)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol
CID 6454271
(6aR)-2-fluoro-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrobromide
CID 11494078
[(6aR)-11-acetyloxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] acetate
CID 15678215
(6aR)-10-methoxy-11-[(2-methylpropan-2-yl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 58613152
ethane;(11-hydroxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl) acetate
CID 153398831
9-chloro-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
CID 175794329
1-cyclopropyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 68538685
(4R)-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one
CID 7060632
1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
CID 5320211
4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole
CID 115075898
(6aS)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
CID 101426476

Frequently Asked Questions

What is the IUPAC name of 11-(2,2-difluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol?
The IUPAC name of 11-(2,2-difluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol (CID 175794253) is 11-(2,2-difluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol.
What is the SMILES notation for 11-(2,2-difluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol?
The canonical SMILES for 11-(2,2-difluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol is Oc1cc2c3c(c1)-c1c(cccc1OCC(F)F)CC3NCC2.
What is the InChIKey of 11-(2,2-difluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol?
The InChIKey is KSTPNFWIIZKLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2/c19-16(20)9-23-15-3-1-2-10-7-14-17-11(4-5-21-14)6-12(22)8-13(17)18(10)15/h1-3,6,8,14,16,21-22H,4-5,7,9H2.
What are the key properties of 11-(2,2-difluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol?
11-(2,2-difluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol has a molecular weight of 317.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,2-difluoroethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol is sourced from PubChem (CID 175794253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).