tri(propan-2-yl)-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenoxy]silane

C21H22F8OSi — CID 91182646

IUPACtri(propan-2-yl)-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenoxy]silane
SMILESCC(C)[Si](Oc1c(F)c(F)c(-c2cc(F)c(F)c(F)c2F)c(F)c1F)(C(C)C)C(C)C
InChIInChI=1S/C21H22F8OSi/c1-8(2)31(9(3)4,10(5)6)30-21-19(28)16(25)13(17(26)20(21)29)11-7-12(22)15(24)18(27)14(11)23/h7-10H,1-6H3
InChIKeyOXJRSTKAZXPPBN-UHFFFAOYSA-N
MW470.48 g/mol
LogP8.02
Rot. Bonds6

About tri(propan-2-yl)-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenoxy]silane

tri(propan-2-yl)-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenoxy]silane (PubChem CID 91182646) has the molecular formula C21H22F8OSi and a molecular weight of 470.48 g/mol. Its IUPAC name is tri(propan-2-yl)-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenoxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenoxy]silane
PubChem CID91182646
Molecular FormulaC21H22F8OSi
Molecular Weight470.48 g/mol
Exact Mass470.13
IUPAC Nametri(propan-2-yl)-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenoxy]silane
SMILESCC(C)[Si](Oc1c(F)c(F)c(-c2cc(F)c(F)c(F)c2F)c(F)c1F)(C(C)C)C(C)C
InChIInChI=1S/C21H22F8OSi/c1-8(2)31(9(3)4,10(5)6)30-21-19(28)16(25)13(17(26)20(21)29)11-7-12(22)15(24)18(27)14(11)23/h7-10H,1-6H3
InChIKeyOXJRSTKAZXPPBN-UHFFFAOYSA-N
XLogP8.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.48
LogP ≤ 58.02
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 tri(propan-2-yl)-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenoxy]silane?
The IUPAC name of tri(propan-2-yl)-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenoxy]silane (CID 91182646) is tri(propan-2-yl)-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenoxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenoxy]silane?
The canonical SMILES for tri(propan-2-yl)-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenoxy]silane is CC(C)[Si](Oc1c(F)c(F)c(-c2cc(F)c(F)c(F)c2F)c(F)c1F)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenoxy]silane?
The InChIKey is OXJRSTKAZXPPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F8OSi/c1-8(2)31(9(3)4,10(5)6)30-21-19(28)16(25)13(17(26)20(21)29)11-7-12(22)15(24)18(27)14(11)23/h7-10H,1-6H3.
What are the key properties of tri(propan-2-yl)-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenoxy]silane?
tri(propan-2-yl)-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenoxy]silane has a molecular weight of 470.48 g/mol, XLogP of 8.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenoxy]silane is sourced from PubChem (CID 91182646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).