benzyl-fluoro-(fluoromethoxy)-(trifluoromethoxy)silane

C9H9F5O2Si — CID 68659937

IUPACbenzyl-fluoro-(fluoromethoxy)-(trifluoromethoxy)silane
SMILESFCO[Si](F)(Cc1ccccc1)OC(F)(F)F
InChIInChI=1S/C9H9F5O2Si/c10-7-15-17(14,16-9(11,12)13)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyOCRKQBYMZGEEPC-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.16
Rot. Bonds5

About benzyl-fluoro-(fluoromethoxy)-(trifluoromethoxy)silane

benzyl-fluoro-(fluoromethoxy)-(trifluoromethoxy)silane (PubChem CID 68659937) has the molecular formula C9H9F5O2Si and a molecular weight of 272.25 g/mol. Its IUPAC name is benzyl-fluoro-(fluoromethoxy)-(trifluoromethoxy)silane.

Molecular Properties

Compound Namebenzyl-fluoro-(fluoromethoxy)-(trifluoromethoxy)silane
PubChem CID68659937
Molecular FormulaC9H9F5O2Si
Molecular Weight272.25 g/mol
Exact Mass272.03
IUPAC Namebenzyl-fluoro-(fluoromethoxy)-(trifluoromethoxy)silane
SMILESFCO[Si](F)(Cc1ccccc1)OC(F)(F)F
InChIInChI=1S/C9H9F5O2Si/c10-7-15-17(14,16-9(11,12)13)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyOCRKQBYMZGEEPC-UHFFFAOYSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

fluoro-(fluoromethoxy)-(3-phenylpropoxy)-(trifluoromethoxy)silane
CID 90174111
benzyl-(2,2-difluoroethyl)-ethyl-(trifluoromethoxy)silane
CID 90173357
benzyl-(difluoromethoxy)-propan-2-yloxy-(trifluoromethoxy)silane
CID 90171485
benzyl-fluoro-dimethylsilane
CID 11105764
benzyl-[3-[benzyl(dimethyl)silyl]oxy-2,2-dimethylpropoxy]-dimethylsilane
CID 69305506
tribenzyl(tribenzylsilyl)silane
CID 4650468
2-(trifluoromethoxy)ethoxymethylbenzene
CID 154682514
azane;2,2,2-trifluoroethylbenzene;hydrochloride
CID 175467010
ethane;2,2,2-trifluoroethylbenzene
CID 142152613
benzyl-dihydroxy-methylsilane
CID 69074928
benzyl-[2-(2-methoxyethoxy)ethoxy]-dimethylsilane
CID 91694228
benzyl-diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)silane
CID 139931305

Frequently Asked Questions

What is the IUPAC name of benzyl-fluoro-(fluoromethoxy)-(trifluoromethoxy)silane?
The IUPAC name of benzyl-fluoro-(fluoromethoxy)-(trifluoromethoxy)silane (CID 68659937) is benzyl-fluoro-(fluoromethoxy)-(trifluoromethoxy)silane.
What is the SMILES notation for benzyl-fluoro-(fluoromethoxy)-(trifluoromethoxy)silane?
The canonical SMILES for benzyl-fluoro-(fluoromethoxy)-(trifluoromethoxy)silane is FCO[Si](F)(Cc1ccccc1)OC(F)(F)F.
What is the InChIKey of benzyl-fluoro-(fluoromethoxy)-(trifluoromethoxy)silane?
The InChIKey is OCRKQBYMZGEEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5O2Si/c10-7-15-17(14,16-9(11,12)13)6-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of benzyl-fluoro-(fluoromethoxy)-(trifluoromethoxy)silane?
benzyl-fluoro-(fluoromethoxy)-(trifluoromethoxy)silane has a molecular weight of 272.25 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-fluoro-(fluoromethoxy)-(trifluoromethoxy)silane is sourced from PubChem (CID 68659937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).