tert-butyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane

C25H35F7OSi2 — CID 141045119

IUPACtert-butyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane
SMILESCC[Si](CC)(CC)CC[Si](Oc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F)(C(C)C)C(C)(C)C
InChIInChI=1S/C25H35F7OSi2/c1-9-34(10-2,11-3)12-13-35(14(4)5,25(6,7)8)33-24-20(29)16-15(19(28)23(24)32)17(26)21(30)22(31)18(16)27/h14H,9-13H2,1-8H3
InChIKeyUQTKTJSJSPTXDS-UHFFFAOYSA-N
MW540.71 g/mol
LogP9.86
Rot. Bonds9

About tert-butyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane

tert-butyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane (PubChem CID 141045119) has the molecular formula C25H35F7OSi2 and a molecular weight of 540.71 g/mol. Its IUPAC name is tert-butyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane.

Molecular Properties

Compound Nametert-butyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane
PubChem CID141045119
Molecular FormulaC25H35F7OSi2
Molecular Weight540.71 g/mol
Exact Mass540.21
IUPAC Nametert-butyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane
SMILESCC[Si](CC)(CC)CC[Si](Oc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F)(C(C)C)C(C)(C)C
InChIInChI=1S/C25H35F7OSi2/c1-9-34(10-2,11-3)12-13-35(14(4)5,25(6,7)8)33-24-20(29)16-15(19(28)23(24)32)17(26)21(30)22(31)18(16)27/h14H,9-13H2,1-8H3
InChIKeyUQTKTJSJSPTXDS-UHFFFAOYSA-N
XLogP9.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane?
The IUPAC name of tert-butyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane (CID 141045119) is tert-butyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane.
What is the SMILES notation for tert-butyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane?
The canonical SMILES for tert-butyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane is CC[Si](CC)(CC)CC[Si](Oc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F)(C(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane?
The InChIKey is UQTKTJSJSPTXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F7OSi2/c1-9-34(10-2,11-3)12-13-35(14(4)5,25(6,7)8)33-24-20(29)16-15(19(28)23(24)32)17(26)21(30)22(31)18(16)27/h14H,9-13H2,1-8H3.
What are the key properties of tert-butyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane?
tert-butyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane has a molecular weight of 540.71 g/mol, XLogP of 9.86, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane is sourced from PubChem (CID 141045119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).