diethoxy-methyl-[3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]phenyl]silane

C14H17F7O3Si — CID 21428417

IUPACdiethoxy-methyl-[3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]phenyl]silane
SMILESCCO[Si](C)(OCC)c1cccc(C(F)(F)C(F)(F)OC(F)(F)F)c1
InChIInChI=1S/C14H17F7O3Si/c1-4-22-25(3,23-5-2)11-8-6-7-10(9-11)12(15,16)13(17,18)24-14(19,20)21/h6-9H,4-5H2,1-3H3
InChIKeyXDQGYUAESXLKLB-UHFFFAOYSA-N
MW394.36 g/mol
LogP4.26
Rot. Bonds8

About diethoxy-methyl-[3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]phenyl]silane

diethoxy-methyl-[3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]phenyl]silane (PubChem CID 21428417) has the molecular formula C14H17F7O3Si and a molecular weight of 394.36 g/mol. Its IUPAC name is diethoxy-methyl-[3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]phenyl]silane.

Molecular Properties

Compound Namediethoxy-methyl-[3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]phenyl]silane
PubChem CID21428417
Molecular FormulaC14H17F7O3Si
Molecular Weight394.36 g/mol
Exact Mass394.08
IUPAC Namediethoxy-methyl-[3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]phenyl]silane
SMILESCCO[Si](C)(OCC)c1cccc(C(F)(F)C(F)(F)OC(F)(F)F)c1
InChIInChI=1S/C14H17F7O3Si/c1-4-22-25(3,23-5-2)11-8-6-7-10(9-11)12(15,16)13(17,18)24-14(19,20)21/h6-9H,4-5H2,1-3H3
InChIKeyXDQGYUAESXLKLB-UHFFFAOYSA-N
XLogP4.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-methyl-[3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]phenyl]silane?
The IUPAC name of diethoxy-methyl-[3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]phenyl]silane (CID 21428417) is diethoxy-methyl-[3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]phenyl]silane.
What is the SMILES notation for diethoxy-methyl-[3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]phenyl]silane?
The canonical SMILES for diethoxy-methyl-[3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]phenyl]silane is CCO[Si](C)(OCC)c1cccc(C(F)(F)C(F)(F)OC(F)(F)F)c1.
What is the InChIKey of diethoxy-methyl-[3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]phenyl]silane?
The InChIKey is XDQGYUAESXLKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F7O3Si/c1-4-22-25(3,23-5-2)11-8-6-7-10(9-11)12(15,16)13(17,18)24-14(19,20)21/h6-9H,4-5H2,1-3H3.
What are the key properties of diethoxy-methyl-[3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]phenyl]silane?
diethoxy-methyl-[3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]phenyl]silane has a molecular weight of 394.36 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-[3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]phenyl]silane is sourced from PubChem (CID 21428417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).