diethoxymethoxy-[(3,5-difluorophenyl)methyl]silane

C12H18F2O3Si — CID 154058701

IUPACdiethoxymethoxy-[(3,5-difluorophenyl)methyl]silane
SMILESCCOC(OCC)O[SiH2]Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H18F2O3Si/c1-3-15-12(16-4-2)17-18-8-9-5-10(13)7-11(14)6-9/h5-7,12H,3-4,8,18H2,1-2H3
InChIKeyHXRMVXPXDLIBSR-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.92
Rot. Bonds8

About diethoxymethoxy-[(3,5-difluorophenyl)methyl]silane

diethoxymethoxy-[(3,5-difluorophenyl)methyl]silane (PubChem CID 154058701) has the molecular formula C12H18F2O3Si and a molecular weight of 276.36 g/mol. Its IUPAC name is diethoxymethoxy-[(3,5-difluorophenyl)methyl]silane.

Molecular Properties

Compound Namediethoxymethoxy-[(3,5-difluorophenyl)methyl]silane
PubChem CID154058701
Molecular FormulaC12H18F2O3Si
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Namediethoxymethoxy-[(3,5-difluorophenyl)methyl]silane
SMILESCCOC(OCC)O[SiH2]Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H18F2O3Si/c1-3-15-12(16-4-2)17-18-8-9-5-10(13)7-11(14)6-9/h5-7,12H,3-4,8,18H2,1-2H3
InChIKeyHXRMVXPXDLIBSR-UHFFFAOYSA-N
XLogP1.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

diethoxymethoxy-[4-(4-fluorophenyl)butyl]silane
CID 154500818
1-(2,2-diethoxyethoxy)-3,5-difluorobenzene
CID 63628941
1-[2-(diethoxymethoxy)undecyl]-3,5-difluorobenzene
CID 151723088
3-(3,5-difluorophenyl)propyl-[di(propan-2-yloxy)methoxy]silane
CID 154500811
1-[6-(diethoxymethoxy)pentadecyl]-3,5-difluorobenzene
CID 150484327
1-(3,3-diethoxypropyl)-3-fluorobenzene
CID 146004750
3-(3,5-difluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine
CID 105406605
1-(butan-2-yloxymethyl)-3,5-difluorobenzene
CID 169144381
1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine
CID 105406994
1-(3,5-difluorophenyl)-2,2-diethoxyethanol
CID 79496044
1-ethyl-3,5-difluorobenzene;methanamine
CID 154650973
3,3-diethoxy-N-[2-(3-fluorophenyl)ethyl]propan-1-amine
CID 81093421

Frequently Asked Questions

What is the IUPAC name of diethoxymethoxy-[(3,5-difluorophenyl)methyl]silane?
The IUPAC name of diethoxymethoxy-[(3,5-difluorophenyl)methyl]silane (CID 154058701) is diethoxymethoxy-[(3,5-difluorophenyl)methyl]silane.
What is the SMILES notation for diethoxymethoxy-[(3,5-difluorophenyl)methyl]silane?
The canonical SMILES for diethoxymethoxy-[(3,5-difluorophenyl)methyl]silane is CCOC(OCC)O[SiH2]Cc1cc(F)cc(F)c1.
What is the InChIKey of diethoxymethoxy-[(3,5-difluorophenyl)methyl]silane?
The InChIKey is HXRMVXPXDLIBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2O3Si/c1-3-15-12(16-4-2)17-18-8-9-5-10(13)7-11(14)6-9/h5-7,12H,3-4,8,18H2,1-2H3.
What are the key properties of diethoxymethoxy-[(3,5-difluorophenyl)methyl]silane?
diethoxymethoxy-[(3,5-difluorophenyl)methyl]silane has a molecular weight of 276.36 g/mol, XLogP of 1.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethoxy-[(3,5-difluorophenyl)methyl]silane is sourced from PubChem (CID 154058701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).