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

C17H17F5OSi — CID 576398

IUPACdimethyl-(2,3,4,5,6-pentafluorophenyl)-(3-phenylpropoxy)silane
SMILESC[Si](C)(OCCCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H17F5OSi/c1-24(2,23-10-6-9-11-7-4-3-5-8-11)17-15(21)13(19)12(18)14(20)16(17)22/h3-5,7-8H,6,9-10H2,1-2H3
InChIKeyXUDNXSNBQBBUKV-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.44
Rot. Bonds6

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

dimethyl-(2,3,4,5,6-pentafluorophenyl)-(3-phenylpropoxy)silane (PubChem CID 576398) 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)-(3-phenylpropoxy)silane.

Molecular Properties

Compound Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-(3-phenylpropoxy)silane
PubChem CID576398
Molecular FormulaC17H17F5OSi
Molecular Weight360.40 g/mol
Exact Mass360.10
IUPAC Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-(3-phenylpropoxy)silane
SMILESC[Si](C)(OCCCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H17F5OSi/c1-24(2,23-10-6-9-11-7-4-3-5-8-11)17-15(21)13(19)12(18)14(20)16(17)22/h3-5,7-8H,6,9-10H2,1-2H3
InChIKeyXUDNXSNBQBBUKV-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Silane, trimethyl(2-phenylethoxy)-
CID 518978
Trimethyl(3-phenylpropoxy)silane
CID 518979
Silane, (1,1-dimethylethyl)dimethyl(1-methyl-3-phenylpropoxy)-
CID 10890759
Dimethyl(diphenylmethoxy)(pentafluorophenyl)silane
CID 4581060
Fluoro(fluoromethyl)(2-phenylethoxy)(trifluoromethyl)silane
CID 53400579
[(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane
CID 12965436
(3-(Perfluorophenyl)propyl)(phenyl)divinylsilane
CID 166636934
Ditert-butyl(3-phenylpropoxy)silane
CID 554567
Triethyl(3-phenylpropoxy)silane
CID 561771
Silane, triethyl(2-phenylethoxy)-
CID 610043
1-Triisopropylsilyloxy-3-phenylpropane
CID 619294
1-Di(tert-butyl)silyloxy-2-phenylethane
CID 6329257

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-(3-phenylpropoxy)silane?
The IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-(3-phenylpropoxy)silane (CID 576398) is dimethyl-(2,3,4,5,6-pentafluorophenyl)-(3-phenylpropoxy)silane.
What is the SMILES notation for dimethyl-(2,3,4,5,6-pentafluorophenyl)-(3-phenylpropoxy)silane?
The canonical SMILES for dimethyl-(2,3,4,5,6-pentafluorophenyl)-(3-phenylpropoxy)silane is C[Si](C)(OCCCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-(2,3,4,5,6-pentafluorophenyl)-(3-phenylpropoxy)silane?
The InChIKey is XUDNXSNBQBBUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F5OSi/c1-24(2,23-10-6-9-11-7-4-3-5-8-11)17-15(21)13(19)12(18)14(20)16(17)22/h3-5,7-8H,6,9-10H2,1-2H3.
What are the key properties of dimethyl-(2,3,4,5,6-pentafluorophenyl)-(3-phenylpropoxy)silane?
dimethyl-(2,3,4,5,6-pentafluorophenyl)-(3-phenylpropoxy)silane has a molecular weight of 360.40 g/mol, XLogP of 4.44, 6 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)-(3-phenylpropoxy)silane is sourced from PubChem (CID 576398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).