fluoro-di(propan-2-yl)-[2,4,6-tri(propan-2-yl)phenyl]silane

C21H37FSi — CID 102215052

IUPACfluoro-di(propan-2-yl)-[2,4,6-tri(propan-2-yl)phenyl]silane
SMILESCC(C)c1cc(C(C)C)c([Si](F)(C(C)C)C(C)C)c(C(C)C)c1
InChIInChI=1S/C21H37FSi/c1-13(2)18-11-19(14(3)4)21(20(12-18)15(5)6)23(22,16(7)8)17(9)10/h11-17H,1-10H3
InChIKeyYRYNTVLXVIZGHC-UHFFFAOYSA-N
MW336.61 g/mol
LogP7.00
Rot. Bonds6

About fluoro-di(propan-2-yl)-[2,4,6-tri(propan-2-yl)phenyl]silane

fluoro-di(propan-2-yl)-[2,4,6-tri(propan-2-yl)phenyl]silane (PubChem CID 102215052) has the molecular formula C21H37FSi and a molecular weight of 336.61 g/mol. Its IUPAC name is fluoro-di(propan-2-yl)-[2,4,6-tri(propan-2-yl)phenyl]silane.

Molecular Properties

Compound Namefluoro-di(propan-2-yl)-[2,4,6-tri(propan-2-yl)phenyl]silane
PubChem CID102215052
Molecular FormulaC21H37FSi
Molecular Weight336.61 g/mol
Exact Mass336.26
IUPAC Namefluoro-di(propan-2-yl)-[2,4,6-tri(propan-2-yl)phenyl]silane
SMILESCC(C)c1cc(C(C)C)c([Si](F)(C(C)C)C(C)C)c(C(C)C)c1
InChIInChI=1S/C21H37FSi/c1-13(2)18-11-19(14(3)4)21(20(12-18)15(5)6)23(22,16(7)8)17(9)10/h11-17H,1-10H3
InChIKeyYRYNTVLXVIZGHC-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

M-Cymene
CID 10812
1,3-Diisopropylbenzene
CID 7450
1,3,5-Triisopropylbenzene
CID 12860
Trimethylbenzylsilane
CID 69862
Benzene, 1-ethyl-3,5-bis(1-methylethyl)-
CID 84820
1,3,5-Tri-tert-butylbenzene
CID 15089
3,5-Diethyltoluene
CID 16302
5-Isopropyl-m-xylene
CID 20833
Benzene, 1-methyl-3,5-bis(1-methylethyl)-
CID 137809
p-Tolyltrimethylsilane
CID 298149
1,3,5-Triethylbenzene
CID 7602
2-Phenyldodecane
CID 17628

Frequently Asked Questions

What is the IUPAC name of fluoro-di(propan-2-yl)-[2,4,6-tri(propan-2-yl)phenyl]silane?
The IUPAC name of fluoro-di(propan-2-yl)-[2,4,6-tri(propan-2-yl)phenyl]silane (CID 102215052) is fluoro-di(propan-2-yl)-[2,4,6-tri(propan-2-yl)phenyl]silane.
What is the SMILES notation for fluoro-di(propan-2-yl)-[2,4,6-tri(propan-2-yl)phenyl]silane?
The canonical SMILES for fluoro-di(propan-2-yl)-[2,4,6-tri(propan-2-yl)phenyl]silane is CC(C)c1cc(C(C)C)c([Si](F)(C(C)C)C(C)C)c(C(C)C)c1.
What is the InChIKey of fluoro-di(propan-2-yl)-[2,4,6-tri(propan-2-yl)phenyl]silane?
The InChIKey is YRYNTVLXVIZGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37FSi/c1-13(2)18-11-19(14(3)4)21(20(12-18)15(5)6)23(22,16(7)8)17(9)10/h11-17H,1-10H3.
What are the key properties of fluoro-di(propan-2-yl)-[2,4,6-tri(propan-2-yl)phenyl]silane?
fluoro-di(propan-2-yl)-[2,4,6-tri(propan-2-yl)phenyl]silane has a molecular weight of 336.61 g/mol, XLogP of 7.00, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-di(propan-2-yl)-[2,4,6-tri(propan-2-yl)phenyl]silane is sourced from PubChem (CID 102215052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).