2,2,2-trifluoro-N-methylsilylacetamide

C3H6F3NOSi — CID 123916104

IUPAC2,2,2-trifluoro-N-methylsilylacetamide
SMILESC[SiH2]NC(=O)C(F)(F)F
InChIInChI=1S/C3H6F3NOSi/c1-9-7-2(8)3(4,5)6/h9H2,1H3,(H,7,8)
InChIKeyVFCQCIZSUMPGRM-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.20
Rot. Bonds1

About 2,2,2-trifluoro-N-methylsilylacetamide

2,2,2-trifluoro-N-methylsilylacetamide (PubChem CID 123916104) has the molecular formula C3H6F3NOSi and a molecular weight of 157.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methylsilylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methylsilylacetamide
PubChem CID123916104
Molecular FormulaC3H6F3NOSi
Molecular Weight157.17 g/mol
Exact Mass157.02
IUPAC Name2,2,2-trifluoro-N-methylsilylacetamide
SMILESC[SiH2]NC(=O)C(F)(F)F
InChIInChI=1S/C3H6F3NOSi/c1-9-7-2(8)3(4,5)6/h9H2,1H3,(H,7,8)
InChIKeyVFCQCIZSUMPGRM-UHFFFAOYSA-N
XLogP-0.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.20
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 2,2,2-trifluoro-N-methylsilylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-methylsilylacetamide (CID 123916104) is 2,2,2-trifluoro-N-methylsilylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methylsilylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methylsilylacetamide is C[SiH2]NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methylsilylacetamide?
The InChIKey is VFCQCIZSUMPGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NOSi/c1-9-7-2(8)3(4,5)6/h9H2,1H3,(H,7,8).
What are the key properties of 2,2,2-trifluoro-N-methylsilylacetamide?
2,2,2-trifluoro-N-methylsilylacetamide has a molecular weight of 157.17 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methylsilylacetamide is sourced from PubChem (CID 123916104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).