dimethyl-(2,3,4,5,6-pentafluorophenyl)-(1-phenylpropoxy)silane

C17H17F5OSi — CID 91742948

IUPACdimethyl-(2,3,4,5,6-pentafluorophenyl)-(1-phenylpropoxy)silane
SMILESCCC(O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C17H17F5OSi/c1-4-11(10-8-6-5-7-9-10)23-24(2,3)17-15(21)13(19)12(18)14(20)16(17)22/h5-9,11H,4H2,1-3H3
InChIKeyVQLWGSXXSJIXIG-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.96
Rot. Bonds5

About dimethyl-(2,3,4,5,6-pentafluorophenyl)-(1-phenylpropoxy)silane

dimethyl-(2,3,4,5,6-pentafluorophenyl)-(1-phenylpropoxy)silane (PubChem CID 91742948) has the molecular formula C17H17F5OSi and a molecular weight of 360.40 g/mol. Its IUPAC name is dimethyl-(2,3,4,5,6-pentafluorophenyl)-(1-phenylpropoxy)silane.

Molecular Properties

Compound Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-(1-phenylpropoxy)silane
PubChem CID91742948
Molecular FormulaC17H17F5OSi
Molecular Weight360.40 g/mol
Exact Mass360.10
IUPAC Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-(1-phenylpropoxy)silane
SMILESCCC(O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C17H17F5OSi/c1-4-11(10-8-6-5-7-9-10)23-24(2,3)17-15(21)13(19)12(18)14(20)16(17)22/h5-9,11H,4H2,1-3H3
InChIKeyVQLWGSXXSJIXIG-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.96
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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Related Compounds

dimethyl-bis(1-phenylpropoxy)silane
CID 91741555
1-(trifluoromethoxy)propylbenzene
CID 174717015
butoxy-diethyl-(1-phenylpropoxy)silane
CID 91739737
diethyl-(1-phenylpropoxy)-undecoxysilane
CID 91743912
1-(1-phenylpropoxy)ethanethiol
CID 126486623
3-(1-phenylpropoxy)propane-1,2-diol
CID 134964704
4,4,5,5-tetramethyl-2-(1-phenylpropoxy)-1,3,2-dioxaborolane
CID 132609190
1-pentoxypropylbenzene
CID 57033372
[2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-2-phenylethyl]-trimethylsilane
CID 134903522
1-phosphanylsulfonyloxypropylbenzene
CID 174794553
1-(1-phenylpropoxy)ethane-1,2-diol
CID 68934607
dimethyl-pentan-3-yloxy-phenylsilane
CID 11345091

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-(1-phenylpropoxy)silane?
The IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-(1-phenylpropoxy)silane (CID 91742948) is dimethyl-(2,3,4,5,6-pentafluorophenyl)-(1-phenylpropoxy)silane.
What is the SMILES notation for dimethyl-(2,3,4,5,6-pentafluorophenyl)-(1-phenylpropoxy)silane?
The canonical SMILES for dimethyl-(2,3,4,5,6-pentafluorophenyl)-(1-phenylpropoxy)silane is CCC(O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1.
What is the InChIKey of dimethyl-(2,3,4,5,6-pentafluorophenyl)-(1-phenylpropoxy)silane?
The InChIKey is VQLWGSXXSJIXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F5OSi/c1-4-11(10-8-6-5-7-9-10)23-24(2,3)17-15(21)13(19)12(18)14(20)16(17)22/h5-9,11H,4H2,1-3H3.
What are the key properties of dimethyl-(2,3,4,5,6-pentafluorophenyl)-(1-phenylpropoxy)silane?
dimethyl-(2,3,4,5,6-pentafluorophenyl)-(1-phenylpropoxy)silane has a molecular weight of 360.40 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2,3,4,5,6-pentafluorophenyl)-(1-phenylpropoxy)silane is sourced from PubChem (CID 91742948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).