(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy-tri(propan-2-yl)silane

C18H22F6OSi — CID 173235380

IUPAC(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1c(F)c(F)c2c(c1F)C(F)=C(F)C2F)(C(C)C)C(C)C
InChIInChI=1S/C18H22F6OSi/c1-7(2)26(8(3)4,9(5)6)25-18-15(22)11-10(14(21)17(18)24)12(19)16(23)13(11)20/h7-9,12H,1-6H3
InChIKeyARBIQGPKOBNCQH-UHFFFAOYSA-N
MW396.45 g/mol
LogP7.29
Rot. Bonds5

About (1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy-tri(propan-2-yl)silane

(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy-tri(propan-2-yl)silane (PubChem CID 173235380) has the molecular formula C18H22F6OSi and a molecular weight of 396.45 g/mol. Its IUPAC name is (1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy-tri(propan-2-yl)silane
PubChem CID173235380
Molecular FormulaC18H22F6OSi
Molecular Weight396.45 g/mol
Exact Mass396.13
IUPAC Name(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1c(F)c(F)c2c(c1F)C(F)=C(F)C2F)(C(C)C)C(C)C
InChIInChI=1S/C18H22F6OSi/c1-7(2)26(8(3)4,9(5)6)25-18-15(22)11-10(14(21)17(18)24)12(19)16(23)13(11)20/h7-9,12H,1-6H3
InChIKeyARBIQGPKOBNCQH-UHFFFAOYSA-N
XLogP7.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy-tri(propan-2-yl)silane?
The IUPAC name of (1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy-tri(propan-2-yl)silane (CID 173235380) is (1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy-tri(propan-2-yl)silane.
What is the SMILES notation for (1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy-tri(propan-2-yl)silane?
The canonical SMILES for (1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy-tri(propan-2-yl)silane is CC(C)[Si](Oc1c(F)c(F)c2c(c1F)C(F)=C(F)C2F)(C(C)C)C(C)C.
What is the InChIKey of (1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy-tri(propan-2-yl)silane?
The InChIKey is ARBIQGPKOBNCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F6OSi/c1-7(2)26(8(3)4,9(5)6)25-18-15(22)11-10(14(21)17(18)24)12(19)16(23)13(11)20/h7-9,12H,1-6H3.
What are the key properties of (1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy-tri(propan-2-yl)silane?
(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy-tri(propan-2-yl)silane has a molecular weight of 396.45 g/mol, XLogP of 7.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 173235380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).