(1,2,4,5,6,7,8,9,9-nonafluorofluoren-3-yl)oxy-tri(propan-2-yl)silane

C22H21F9OSi — CID 141045167

IUPAC(1,2,4,5,6,7,8,9,9-nonafluorofluoren-3-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1c(F)c(F)c2c(c1F)-c1c(F)c(F)c(F)c(F)c1C2(F)F)(C(C)C)C(C)C
InChIInChI=1S/C22H21F9OSi/c1-7(2)33(8(3)4,9(5)6)32-21-15(24)11-10-12(16(25)19(28)18(27)14(10)23)22(30,31)13(11)17(26)20(21)29/h7-9H,1-6H3
InChIKeyYSHUFHZNPSQFKU-UHFFFAOYSA-N
MW500.48 g/mol
LogP8.34
Rot. Bonds5

About (1,2,4,5,6,7,8,9,9-nonafluorofluoren-3-yl)oxy-tri(propan-2-yl)silane

(1,2,4,5,6,7,8,9,9-nonafluorofluoren-3-yl)oxy-tri(propan-2-yl)silane (PubChem CID 141045167) has the molecular formula C22H21F9OSi and a molecular weight of 500.48 g/mol. Its IUPAC name is (1,2,4,5,6,7,8,9,9-nonafluorofluoren-3-yl)oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(1,2,4,5,6,7,8,9,9-nonafluorofluoren-3-yl)oxy-tri(propan-2-yl)silane
PubChem CID141045167
Molecular FormulaC22H21F9OSi
Molecular Weight500.48 g/mol
Exact Mass500.12
IUPAC Name(1,2,4,5,6,7,8,9,9-nonafluorofluoren-3-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1c(F)c(F)c2c(c1F)-c1c(F)c(F)c(F)c(F)c1C2(F)F)(C(C)C)C(C)C
InChIInChI=1S/C22H21F9OSi/c1-7(2)33(8(3)4,9(5)6)32-21-15(24)11-10-12(16(25)19(28)18(27)14(10)23)22(30,31)13(11)17(26)20(21)29/h7-9H,1-6H3
InChIKeyYSHUFHZNPSQFKU-UHFFFAOYSA-N
XLogP8.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.48
LogP ≤ 58.34
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 (1,2,4,5,6,7,8,9,9-nonafluorofluoren-3-yl)oxy-tri(propan-2-yl)silane?
The IUPAC name of (1,2,4,5,6,7,8,9,9-nonafluorofluoren-3-yl)oxy-tri(propan-2-yl)silane (CID 141045167) is (1,2,4,5,6,7,8,9,9-nonafluorofluoren-3-yl)oxy-tri(propan-2-yl)silane.
What is the SMILES notation for (1,2,4,5,6,7,8,9,9-nonafluorofluoren-3-yl)oxy-tri(propan-2-yl)silane?
The canonical SMILES for (1,2,4,5,6,7,8,9,9-nonafluorofluoren-3-yl)oxy-tri(propan-2-yl)silane is CC(C)[Si](Oc1c(F)c(F)c2c(c1F)-c1c(F)c(F)c(F)c(F)c1C2(F)F)(C(C)C)C(C)C.
What is the InChIKey of (1,2,4,5,6,7,8,9,9-nonafluorofluoren-3-yl)oxy-tri(propan-2-yl)silane?
The InChIKey is YSHUFHZNPSQFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F9OSi/c1-7(2)33(8(3)4,9(5)6)32-21-15(24)11-10-12(16(25)19(28)18(27)14(10)23)22(30,31)13(11)17(26)20(21)29/h7-9H,1-6H3.
What are the key properties of (1,2,4,5,6,7,8,9,9-nonafluorofluoren-3-yl)oxy-tri(propan-2-yl)silane?
(1,2,4,5,6,7,8,9,9-nonafluorofluoren-3-yl)oxy-tri(propan-2-yl)silane has a molecular weight of 500.48 g/mol, XLogP of 8.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,4,5,6,7,8,9,9-nonafluorofluoren-3-yl)oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 141045167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).