difluoromethoxy-methoxy-phenyl-(trifluoromethoxy)silane;triethoxy-[4-(trifluoromethyl)phenyl]silane

C22H28F8O6Si2 — CID 87683706

IUPACdifluoromethoxy-methoxy-phenyl-(trifluoromethoxy)silane;triethoxy-[4-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](OCC)(OCC)c1ccc(C(F)(F)F)cc1.CO[Si](OC(F)F)(OC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H19F3O3Si.C9H9F5O3Si/c1-4-17-20(18-5-2,19-6-3)12-9-7-11(8-10-12)13(14,15)16;1-15-18(16-8(10)11,17-9(12,13)14)7-5-3-2-4-6-7/h7-10H,4-6H2,1-3H3;2-6,8H,1H3
InChIKeyLJVZKUAFRAGEPX-UHFFFAOYSA-N
MW596.62 g/mol
LogP5.22
Rot. Bonds12

About difluoromethoxy-methoxy-phenyl-(trifluoromethoxy)silane;triethoxy-[4-(trifluoromethyl)phenyl]silane

difluoromethoxy-methoxy-phenyl-(trifluoromethoxy)silane;triethoxy-[4-(trifluoromethyl)phenyl]silane (PubChem CID 87683706) has the molecular formula C22H28F8O6Si2 and a molecular weight of 596.62 g/mol. Its IUPAC name is difluoromethoxy-methoxy-phenyl-(trifluoromethoxy)silane;triethoxy-[4-(trifluoromethyl)phenyl]silane.

Molecular Properties

Compound Namedifluoromethoxy-methoxy-phenyl-(trifluoromethoxy)silane;triethoxy-[4-(trifluoromethyl)phenyl]silane
PubChem CID87683706
Molecular FormulaC22H28F8O6Si2
Molecular Weight596.62 g/mol
Exact Mass596.13
IUPAC Namedifluoromethoxy-methoxy-phenyl-(trifluoromethoxy)silane;triethoxy-[4-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](OCC)(OCC)c1ccc(C(F)(F)F)cc1.CO[Si](OC(F)F)(OC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H19F3O3Si.C9H9F5O3Si/c1-4-17-20(18-5-2,19-6-3)12-9-7-11(8-10-12)13(14,15)16;1-15-18(16-8(10)11,17-9(12,13)14)7-5-3-2-4-6-7/h7-10H,4-6H2,1-3H3;2-6,8H,1H3
InChIKeyLJVZKUAFRAGEPX-UHFFFAOYSA-N
XLogP5.22
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.62
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of difluoromethoxy-methoxy-phenyl-(trifluoromethoxy)silane;triethoxy-[4-(trifluoromethyl)phenyl]silane?
The IUPAC name of difluoromethoxy-methoxy-phenyl-(trifluoromethoxy)silane;triethoxy-[4-(trifluoromethyl)phenyl]silane (CID 87683706) is difluoromethoxy-methoxy-phenyl-(trifluoromethoxy)silane;triethoxy-[4-(trifluoromethyl)phenyl]silane.
What is the SMILES notation for difluoromethoxy-methoxy-phenyl-(trifluoromethoxy)silane;triethoxy-[4-(trifluoromethyl)phenyl]silane?
The canonical SMILES for difluoromethoxy-methoxy-phenyl-(trifluoromethoxy)silane;triethoxy-[4-(trifluoromethyl)phenyl]silane is CCO[Si](OCC)(OCC)c1ccc(C(F)(F)F)cc1.CO[Si](OC(F)F)(OC(F)(F)F)c1ccccc1.
What is the InChIKey of difluoromethoxy-methoxy-phenyl-(trifluoromethoxy)silane;triethoxy-[4-(trifluoromethyl)phenyl]silane?
The InChIKey is LJVZKUAFRAGEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3O3Si.C9H9F5O3Si/c1-4-17-20(18-5-2,19-6-3)12-9-7-11(8-10-12)13(14,15)16;1-15-18(16-8(10)11,17-9(12,13)14)7-5-3-2-4-6-7/h7-10H,4-6H2,1-3H3;2-6,8H,1H3.
What are the key properties of difluoromethoxy-methoxy-phenyl-(trifluoromethoxy)silane;triethoxy-[4-(trifluoromethyl)phenyl]silane?
difluoromethoxy-methoxy-phenyl-(trifluoromethoxy)silane;triethoxy-[4-(trifluoromethyl)phenyl]silane has a molecular weight of 596.62 g/mol, XLogP of 5.22, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethoxy-methoxy-phenyl-(trifluoromethoxy)silane;triethoxy-[4-(trifluoromethyl)phenyl]silane is sourced from PubChem (CID 87683706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).