tert-butyl-[[(8S)-9-(4-fluorophenyl)-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane

C33H39F4NO2Si — CID 58119706

IUPACtert-butyl-[[(8S)-9-(4-fluorophenyl)-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane
SMILESCC1OC(c2ccc(C(F)(F)F)cc2)c2c1nc1c(c2-c2ccc(F)cc2)[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C33H39F4NO2Si/c1-19-29-28(30(39-19)21-9-13-22(14-10-21)33(35,36)37)26(20-11-15-23(34)16-12-20)27-24(38-29)17-32(5,6)18-25(27)40-41(7,8)31(2,3)4/h9-16,19,25,30H,17-18H2,1-8H3/t19?,25-,30?/m0/s1
InChIKeyCDXAAMMZTQWSMM-GGZUXXQESA-N
MW585.76 g/mol
LogP10.12
Rot. Bonds4

About tert-butyl-[[(8S)-9-(4-fluorophenyl)-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane

tert-butyl-[[(8S)-9-(4-fluorophenyl)-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane (PubChem CID 58119706) has the molecular formula C33H39F4NO2Si and a molecular weight of 585.76 g/mol. Its IUPAC name is tert-butyl-[[(8S)-9-(4-fluorophenyl)-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(8S)-9-(4-fluorophenyl)-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane
PubChem CID58119706
Molecular FormulaC33H39F4NO2Si
Molecular Weight585.76 g/mol
Exact Mass585.27
IUPAC Nametert-butyl-[[(8S)-9-(4-fluorophenyl)-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane
SMILESCC1OC(c2ccc(C(F)(F)F)cc2)c2c1nc1c(c2-c2ccc(F)cc2)[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C33H39F4NO2Si/c1-19-29-28(30(39-19)21-9-13-22(14-10-21)33(35,36)37)26(20-11-15-23(34)16-12-20)27-24(38-29)17-32(5,6)18-25(27)40-41(7,8)31(2,3)4/h9-16,19,25,30H,17-18H2,1-8H3/t19?,25-,30?/m0/s1
InChIKeyCDXAAMMZTQWSMM-GGZUXXQESA-N
XLogP10.12
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.76
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(8S)-9-(4-fluorophenyl)-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(8S)-9-(4-fluorophenyl)-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane (CID 58119706) is tert-butyl-[[(8S)-9-(4-fluorophenyl)-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(8S)-9-(4-fluorophenyl)-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(8S)-9-(4-fluorophenyl)-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane is CC1OC(c2ccc(C(F)(F)F)cc2)c2c1nc1c(c2-c2ccc(F)cc2)[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C1.
What is the InChIKey of tert-butyl-[[(8S)-9-(4-fluorophenyl)-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane?
The InChIKey is CDXAAMMZTQWSMM-GGZUXXQESA-N. The full InChI is InChI=1S/C33H39F4NO2Si/c1-19-29-28(30(39-19)21-9-13-22(14-10-21)33(35,36)37)26(20-11-15-23(34)16-12-20)27-24(38-29)17-32(5,6)18-25(27)40-41(7,8)31(2,3)4/h9-16,19,25,30H,17-18H2,1-8H3/t19?,25-,30?/m0/s1.
What are the key properties of tert-butyl-[[(8S)-9-(4-fluorophenyl)-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane?
tert-butyl-[[(8S)-9-(4-fluorophenyl)-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane has a molecular weight of 585.76 g/mol, XLogP of 10.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(8S)-9-(4-fluorophenyl)-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane is sourced from PubChem (CID 58119706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).