dimethyl-(4-methylphenoxy)-(2,3,4,5,6-pentafluorophenyl)silane

C15H13F5OSi — CID 523445

IUPACdimethyl-(4-methylphenoxy)-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCc1ccc(O[Si](C)(C)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C15H13F5OSi/c1-8-4-6-9(7-5-8)21-22(2,3)15-13(19)11(17)10(16)12(18)14(15)20/h4-7H,1-3H3
InChIKeyBIPUAEYSRAOVLB-UHFFFAOYSA-N
MW332.34 g/mol
LogP4.18
Rot. Bonds3

About dimethyl-(4-methylphenoxy)-(2,3,4,5,6-pentafluorophenyl)silane

dimethyl-(4-methylphenoxy)-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 523445) has the molecular formula C15H13F5OSi and a molecular weight of 332.34 g/mol. Its IUPAC name is dimethyl-(4-methylphenoxy)-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Namedimethyl-(4-methylphenoxy)-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID523445
Molecular FormulaC15H13F5OSi
Molecular Weight332.34 g/mol
Exact Mass332.07
IUPAC Namedimethyl-(4-methylphenoxy)-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCc1ccc(O[Si](C)(C)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C15H13F5OSi/c1-8-4-6-9(7-5-8)21-22(2,3)15-13(19)11(17)10(16)12(18)14(15)20/h4-7H,1-3H3
InChIKeyBIPUAEYSRAOVLB-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 54.18
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 dimethyl-(4-methylphenoxy)-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of dimethyl-(4-methylphenoxy)-(2,3,4,5,6-pentafluorophenyl)silane (CID 523445) is dimethyl-(4-methylphenoxy)-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for dimethyl-(4-methylphenoxy)-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for dimethyl-(4-methylphenoxy)-(2,3,4,5,6-pentafluorophenyl)silane is Cc1ccc(O[Si](C)(C)c2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of dimethyl-(4-methylphenoxy)-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is BIPUAEYSRAOVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F5OSi/c1-8-4-6-9(7-5-8)21-22(2,3)15-13(19)11(17)10(16)12(18)14(15)20/h4-7H,1-3H3.
What are the key properties of dimethyl-(4-methylphenoxy)-(2,3,4,5,6-pentafluorophenyl)silane?
dimethyl-(4-methylphenoxy)-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 332.34 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-methylphenoxy)-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 523445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).