6-(2-fluoroethoxy)-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline

C23H26FNO2 — CID 22344342

IUPAC6-(2-fluoroethoxy)-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline
SMILESCC1(C)Cc2cc(OCCF)c3c(c2C(c2ccccc2)=N1)CC(C)(C)O3
InChIInChI=1S/C23H26FNO2/c1-22(2)13-16-12-18(26-11-10-24)21-17(14-23(3,4)27-21)19(16)20(25-22)15-8-6-5-7-9-15/h5-9,12H,10-11,13-14H2,1-4H3
InChIKeyMTKJGAHKADQCCD-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.92
Rot. Bonds4

About 6-(2-fluoroethoxy)-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline

6-(2-fluoroethoxy)-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline (PubChem CID 22344342) has the molecular formula C23H26FNO2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 6-(2-fluoroethoxy)-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline.

Molecular Properties

Compound Name6-(2-fluoroethoxy)-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline
PubChem CID22344342
Molecular FormulaC23H26FNO2
Molecular Weight367.46 g/mol
Exact Mass367.19
IUPAC Name6-(2-fluoroethoxy)-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline
SMILESCC1(C)Cc2cc(OCCF)c3c(c2C(c2ccccc2)=N1)CC(C)(C)O3
InChIInChI=1S/C23H26FNO2/c1-22(2)13-16-12-18(26-11-10-24)21-17(14-23(3,4)27-21)19(16)20(25-22)15-8-6-5-7-9-15/h5-9,12H,10-11,13-14H2,1-4H3
InChIKeyMTKJGAHKADQCCD-UHFFFAOYSA-N
XLogP4.92
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(2-fluoroethoxy)-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline with MolForge

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Related Compounds

ethyl (3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinolin-6-yl) carbonate;hydrochloride
CID 139900656
6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343946
6-ethylsulfanyl-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride
CID 22343781
6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343794
3,3,8,8-tetramethyl-1-phenyl-6-(1-phenyltetrazol-5-yl)oxy-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343835
6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343964
2-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-methylpropanoic acid
CID 22343838
3-amino-N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]propanamide
CID 23076991
2-amino-4-(6-ethoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)benzoic acid
CID 23076869
6-methoxy-3,3,8,8-tetramethyl-1-(4-methylsulfinylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343852
6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343940
2-chloro-N-[3-(6-ethoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]acetamide
CID 22344025

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethoxy)-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline?
The IUPAC name of 6-(2-fluoroethoxy)-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline (CID 22344342) is 6-(2-fluoroethoxy)-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline.
What is the SMILES notation for 6-(2-fluoroethoxy)-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline?
The canonical SMILES for 6-(2-fluoroethoxy)-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline is CC1(C)Cc2cc(OCCF)c3c(c2C(c2ccccc2)=N1)CC(C)(C)O3.
What is the InChIKey of 6-(2-fluoroethoxy)-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline?
The InChIKey is MTKJGAHKADQCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO2/c1-22(2)13-16-12-18(26-11-10-24)21-17(14-23(3,4)27-21)19(16)20(25-22)15-8-6-5-7-9-15/h5-9,12H,10-11,13-14H2,1-4H3.
What are the key properties of 6-(2-fluoroethoxy)-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline?
6-(2-fluoroethoxy)-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline has a molecular weight of 367.46 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethoxy)-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline is sourced from PubChem (CID 22344342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).