dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenylmethoxysilane

C15H13F5OSi — CID 523435

IUPACdimethyl-(2,3,4,5,6-pentafluorophenyl)-phenylmethoxysilane
SMILESC[Si](C)(OCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H13F5OSi/c1-22(2,21-8-9-6-4-3-5-7-9)15-13(19)11(17)10(16)12(18)14(15)20/h3-7H,8H2,1-2H3
InChIKeyPUJFMMQJFLXFTF-UHFFFAOYSA-N
MW332.34 g/mol
LogP4.01
Rot. Bonds4

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

dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenylmethoxysilane (PubChem CID 523435) has the molecular formula C15H13F5OSi and a molecular weight of 332.34 g/mol. Its IUPAC name is dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenylmethoxysilane.

Molecular Properties

Compound Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-phenylmethoxysilane
PubChem CID523435
Molecular FormulaC15H13F5OSi
Molecular Weight332.34 g/mol
Exact Mass332.07
IUPAC Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-phenylmethoxysilane
SMILESC[Si](C)(OCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H13F5OSi/c1-22(2,21-8-9-6-4-3-5-7-9)15-13(19)11(17)10(16)12(18)14(15)20/h3-7H,8H2,1-2H3
InChIKeyPUJFMMQJFLXFTF-UHFFFAOYSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 54.01
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

Benzyloxytrimethylsilane
CID 518982
Tert-butyl[(4-iodophenyl)methoxy]dimethylsilane
CID 10020633
2-(Dimethylphenylsilyl)benzyl alcohol
CID 11989421
1,1-Dimethyl-1,3-dihydrobenzo[c][1,2]oxasilole
CID 13085174
Silane, (2-chloroethyl)methylbis(phenylmethoxy)-
CID 94518
{2-[Dimethyl(2-methylphenyl)silyl]phenyl}methanol
CID 11989422
(2-((4-Fluorophenyl)dimethylsilyl)phenyl)methanol
CID 11989534
Silane, trimethyl(2,2,2-trifluoro-1,1-diphenylethoxy)-
CID 11255795
2,2-Difluoro-1-phenyl-1-trimethylsiloxyethene
CID 10889667
Silane, triethyl(phenylmethoxy)-
CID 563229
p-Fluorobenzyl ether
CID 10243100
((1-(2-Fluorophenyl)vinyl)oxy)trimethylsilane
CID 10954822

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenylmethoxysilane?
The IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenylmethoxysilane (CID 523435) is dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenylmethoxysilane.
What is the SMILES notation for dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenylmethoxysilane?
The canonical SMILES for dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenylmethoxysilane is C[Si](C)(OCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenylmethoxysilane?
The InChIKey is PUJFMMQJFLXFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F5OSi/c1-22(2,21-8-9-6-4-3-5-7-9)15-13(19)11(17)10(16)12(18)14(15)20/h3-7H,8H2,1-2H3.
What are the key properties of dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenylmethoxysilane?
dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenylmethoxysilane has a molecular weight of 332.34 g/mol, XLogP of 4.01, 4 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)-phenylmethoxysilane is sourced from PubChem (CID 523435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).