tert-butyl-[[8-(4-fluorophenyl)-7-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane

C35H43F5OSi — CID 15859791

IUPACtert-butyl-[[8-(4-fluorophenyl)-7-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane
SMILESCC(C)c1cc2c(c(-c3ccc(F)cc3)c1C(F)c1ccc(C(F)(F)F)cc1)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2
InChIInChI=1S/C35H43F5OSi/c1-21(2)27-18-24-19-34(6,7)20-28(41-42(8,9)33(3,4)5)29(24)30(22-12-16-26(36)17-13-22)31(27)32(37)23-10-14-25(15-11-23)35(38,39)40/h10-18,21,28,32H,19-20H2,1-9H3
InChIKeyJAVKCRJBOQEPMU-UHFFFAOYSA-N
MW602.80 g/mol
LogP11.73
Rot. Bonds6

About tert-butyl-[[8-(4-fluorophenyl)-7-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane

tert-butyl-[[8-(4-fluorophenyl)-7-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane (PubChem CID 15859791) has the molecular formula C35H43F5OSi and a molecular weight of 602.80 g/mol. Its IUPAC name is tert-butyl-[[8-(4-fluorophenyl)-7-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[8-(4-fluorophenyl)-7-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane
PubChem CID15859791
Molecular FormulaC35H43F5OSi
Molecular Weight602.80 g/mol
Exact Mass602.30
IUPAC Nametert-butyl-[[8-(4-fluorophenyl)-7-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane
SMILESCC(C)c1cc2c(c(-c3ccc(F)cc3)c1C(F)c1ccc(C(F)(F)F)cc1)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2
InChIInChI=1S/C35H43F5OSi/c1-21(2)27-18-24-19-34(6,7)20-28(41-42(8,9)33(3,4)5)29(24)30(22-12-16-26(36)17-13-22)31(27)32(37)23-10-14-25(15-11-23)35(38,39)40/h10-18,21,28,32H,19-20H2,1-9H3
InChIKeyJAVKCRJBOQEPMU-UHFFFAOYSA-N
XLogP11.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.80
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[[8-(4-fluorophenyl)-7-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[8-(4-fluorophenyl)-7-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane (CID 15859791) is tert-butyl-[[8-(4-fluorophenyl)-7-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[8-(4-fluorophenyl)-7-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[8-(4-fluorophenyl)-7-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane is CC(C)c1cc2c(c(-c3ccc(F)cc3)c1C(F)c1ccc(C(F)(F)F)cc1)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2.
What is the InChIKey of tert-butyl-[[8-(4-fluorophenyl)-7-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane?
The InChIKey is JAVKCRJBOQEPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43F5OSi/c1-21(2)27-18-24-19-34(6,7)20-28(41-42(8,9)33(3,4)5)29(24)30(22-12-16-26(36)17-13-22)31(27)32(37)23-10-14-25(15-11-23)35(38,39)40/h10-18,21,28,32H,19-20H2,1-9H3.
What are the key properties of tert-butyl-[[8-(4-fluorophenyl)-7-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane?
tert-butyl-[[8-(4-fluorophenyl)-7-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane has a molecular weight of 602.80 g/mol, XLogP of 11.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[8-(4-fluorophenyl)-7-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane is sourced from PubChem (CID 15859791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).