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

C21H21F9OSi — CID 141045170

IUPACtri(propan-2-yl)-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silane
SMILESCC(C)[Si](Oc1c(F)c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c1F)(C(C)C)C(C)C
InChIInChI=1S/C21H21F9OSi/c1-7(2)32(8(3)4,9(5)6)31-21-15(25)11(14(24)18(28)20(21)30)10-12(22)16(26)19(29)17(27)13(10)23/h7-9H,1-6H3
InChIKeyMDRNREBPMXEPIH-UHFFFAOYSA-N
MW488.47 g/mol
LogP8.16
Rot. Bonds6

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

tri(propan-2-yl)-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silane (PubChem CID 141045170) has the molecular formula C21H21F9OSi and a molecular weight of 488.47 g/mol. Its IUPAC name is tri(propan-2-yl)-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silane
PubChem CID141045170
Molecular FormulaC21H21F9OSi
Molecular Weight488.47 g/mol
Exact Mass488.12
IUPAC Nametri(propan-2-yl)-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silane
SMILESCC(C)[Si](Oc1c(F)c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c1F)(C(C)C)C(C)C
InChIInChI=1S/C21H21F9OSi/c1-7(2)32(8(3)4,9(5)6)31-21-15(25)11(14(24)18(28)20(21)30)10-12(22)16(26)19(29)17(27)13(10)23/h7-9H,1-6H3
InChIKeyMDRNREBPMXEPIH-UHFFFAOYSA-N
XLogP8.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.47
LogP ≤ 58.16
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)-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silane?
The IUPAC name of tri(propan-2-yl)-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silane (CID 141045170) is tri(propan-2-yl)-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silane?
The canonical SMILES for tri(propan-2-yl)-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silane is CC(C)[Si](Oc1c(F)c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c1F)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silane?
The InChIKey is MDRNREBPMXEPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F9OSi/c1-7(2)32(8(3)4,9(5)6)31-21-15(25)11(14(24)18(28)20(21)30)10-12(22)16(26)19(29)17(27)13(10)23/h7-9H,1-6H3.
What are the key properties of tri(propan-2-yl)-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silane?
tri(propan-2-yl)-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silane has a molecular weight of 488.47 g/mol, XLogP of 8.16, 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)-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenoxy]silane is sourced from PubChem (CID 141045170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).