2,2-difluoro-2-trimethylsilylacetamide

C5H11F2NOSi — CID 139291520

IUPAC2,2-difluoro-2-trimethylsilylacetamide
SMILESC[Si](C)(C)C(F)(F)C(N)=O
InChIInChI=1S/C5H11F2NOSi/c1-10(2,3)5(6,7)4(8)9/h1-3H3,(H2,8,9)
InChIKeyHJJXIQLNZHVKSW-UHFFFAOYSA-N
MW167.23 g/mol
LogP0.98
Rot. Bonds2

About 2,2-difluoro-2-trimethylsilylacetamide

2,2-difluoro-2-trimethylsilylacetamide (PubChem CID 139291520) has the molecular formula C5H11F2NOSi and a molecular weight of 167.23 g/mol. Its IUPAC name is 2,2-difluoro-2-trimethylsilylacetamide.

Molecular Properties

Compound Name2,2-difluoro-2-trimethylsilylacetamide
PubChem CID139291520
Molecular FormulaC5H11F2NOSi
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC Name2,2-difluoro-2-trimethylsilylacetamide
SMILESC[Si](C)(C)C(F)(F)C(N)=O
InChIInChI=1S/C5H11F2NOSi/c1-10(2,3)5(6,7)4(8)9/h1-3H3,(H2,8,9)
InChIKeyHJJXIQLNZHVKSW-UHFFFAOYSA-N
XLogP0.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,2-difluoro-2-trimethylsilylacetamide?
The IUPAC name of 2,2-difluoro-2-trimethylsilylacetamide (CID 139291520) is 2,2-difluoro-2-trimethylsilylacetamide.
What is the SMILES notation for 2,2-difluoro-2-trimethylsilylacetamide?
The canonical SMILES for 2,2-difluoro-2-trimethylsilylacetamide is C[Si](C)(C)C(F)(F)C(N)=O.
What is the InChIKey of 2,2-difluoro-2-trimethylsilylacetamide?
The InChIKey is HJJXIQLNZHVKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NOSi/c1-10(2,3)5(6,7)4(8)9/h1-3H3,(H2,8,9).
What are the key properties of 2,2-difluoro-2-trimethylsilylacetamide?
2,2-difluoro-2-trimethylsilylacetamide has a molecular weight of 167.23 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-trimethylsilylacetamide is sourced from PubChem (CID 139291520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).