benzyl-(difluoromethoxy)-propan-2-yloxy-(trifluoromethoxy)silane

C12H15F5O3Si — CID 90171485

IUPACbenzyl-(difluoromethoxy)-propan-2-yloxy-(trifluoromethoxy)silane
SMILESCC(C)O[Si](Cc1ccccc1)(OC(F)F)OC(F)(F)F
InChIInChI=1S/C12H15F5O3Si/c1-9(2)18-21(19-11(13)14,20-12(15,16)17)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyDXSOHEJBDNRILK-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.91
Rot. Bonds7

About benzyl-(difluoromethoxy)-propan-2-yloxy-(trifluoromethoxy)silane

benzyl-(difluoromethoxy)-propan-2-yloxy-(trifluoromethoxy)silane (PubChem CID 90171485) has the molecular formula C12H15F5O3Si and a molecular weight of 330.33 g/mol. Its IUPAC name is benzyl-(difluoromethoxy)-propan-2-yloxy-(trifluoromethoxy)silane.

Molecular Properties

Compound Namebenzyl-(difluoromethoxy)-propan-2-yloxy-(trifluoromethoxy)silane
PubChem CID90171485
Molecular FormulaC12H15F5O3Si
Molecular Weight330.33 g/mol
Exact Mass330.07
IUPAC Namebenzyl-(difluoromethoxy)-propan-2-yloxy-(trifluoromethoxy)silane
SMILESCC(C)O[Si](Cc1ccccc1)(OC(F)F)OC(F)(F)F
InChIInChI=1S/C12H15F5O3Si/c1-9(2)18-21(19-11(13)14,20-12(15,16)17)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyDXSOHEJBDNRILK-UHFFFAOYSA-N
XLogP3.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl-(2,2-difluoroethyl)-ethyl-(trifluoromethoxy)silane
CID 90173357
benzyl(triethoxy)silane;propan-2-ol
CID 172724025
benzyl-fluoro-(fluoromethoxy)-(trifluoromethoxy)silane
CID 68659937
dimethyl-(2-phenylethyl)-propan-2-yloxysilane
CID 58897732
benzyl-(2,4-dimethylpentan-3-yloxy)-dimethylsilane
CID 91697275
benzyl-diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)silane
CID 139931305
benzyl-fluoro-dimethylsilane
CID 11105764
benzyl-chloro-dimethoxysilane;1-phenylethoxysilane
CID 173322617
benzyl-(4-iodobutan-2-yloxy)-dipropoxysilane
CID 142729589
magnesium;benzyl-methanidyl-dimethylsilane;chloride
CID 15733668
(3-chloro-2,2,3-trifluoropropyl)benzene
CID 134892808
benzyl-diethoxy-(3-phenylpropoxy)silane
CID 67542765

Frequently Asked Questions

What is the IUPAC name of benzyl-(difluoromethoxy)-propan-2-yloxy-(trifluoromethoxy)silane?
The IUPAC name of benzyl-(difluoromethoxy)-propan-2-yloxy-(trifluoromethoxy)silane (CID 90171485) is benzyl-(difluoromethoxy)-propan-2-yloxy-(trifluoromethoxy)silane.
What is the SMILES notation for benzyl-(difluoromethoxy)-propan-2-yloxy-(trifluoromethoxy)silane?
The canonical SMILES for benzyl-(difluoromethoxy)-propan-2-yloxy-(trifluoromethoxy)silane is CC(C)O[Si](Cc1ccccc1)(OC(F)F)OC(F)(F)F.
What is the InChIKey of benzyl-(difluoromethoxy)-propan-2-yloxy-(trifluoromethoxy)silane?
The InChIKey is DXSOHEJBDNRILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5O3Si/c1-9(2)18-21(19-11(13)14,20-12(15,16)17)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3.
What are the key properties of benzyl-(difluoromethoxy)-propan-2-yloxy-(trifluoromethoxy)silane?
benzyl-(difluoromethoxy)-propan-2-yloxy-(trifluoromethoxy)silane has a molecular weight of 330.33 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(difluoromethoxy)-propan-2-yloxy-(trifluoromethoxy)silane is sourced from PubChem (CID 90171485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).