tert-butyl-(2,2-difluoro-3-methoxypropoxy)-dimethylsilane

C10H22F2O2Si — CID 86661941

IUPACtert-butyl-(2,2-difluoro-3-methoxypropoxy)-dimethylsilane
SMILESCOCC(F)(F)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22F2O2Si/c1-9(2,3)15(5,6)14-8-10(11,12)7-13-4/h7-8H2,1-6H3
InChIKeyAPXVUVQERMUSAC-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.29
Rot. Bonds5

About tert-butyl-(2,2-difluoro-3-methoxypropoxy)-dimethylsilane

tert-butyl-(2,2-difluoro-3-methoxypropoxy)-dimethylsilane (PubChem CID 86661941) has the molecular formula C10H22F2O2Si and a molecular weight of 240.37 g/mol. Its IUPAC name is tert-butyl-(2,2-difluoro-3-methoxypropoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2,2-difluoro-3-methoxypropoxy)-dimethylsilane
PubChem CID86661941
Molecular FormulaC10H22F2O2Si
Molecular Weight240.37 g/mol
Exact Mass240.14
IUPAC Nametert-butyl-(2,2-difluoro-3-methoxypropoxy)-dimethylsilane
SMILESCOCC(F)(F)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22F2O2Si/c1-9(2,3)15(5,6)14-8-10(11,12)7-13-4/h7-8H2,1-6H3
InChIKeyAPXVUVQERMUSAC-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl-(2,2-difluoro-3-methoxypropoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(2,2-difluoro-3-methoxypropoxy)-dimethylsilane (CID 86661941) is tert-butyl-(2,2-difluoro-3-methoxypropoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2,2-difluoro-3-methoxypropoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(2,2-difluoro-3-methoxypropoxy)-dimethylsilane is COCC(F)(F)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(2,2-difluoro-3-methoxypropoxy)-dimethylsilane?
The InChIKey is APXVUVQERMUSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22F2O2Si/c1-9(2,3)15(5,6)14-8-10(11,12)7-13-4/h7-8H2,1-6H3.
What are the key properties of tert-butyl-(2,2-difluoro-3-methoxypropoxy)-dimethylsilane?
tert-butyl-(2,2-difluoro-3-methoxypropoxy)-dimethylsilane has a molecular weight of 240.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2,2-difluoro-3-methoxypropoxy)-dimethylsilane is sourced from PubChem (CID 86661941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).