N-[butyl(dimethyl)silyl]-2,2,2-trifluoroacetamide

C8H16F3NOSi — CID 56620199

IUPACN-[butyl(dimethyl)silyl]-2,2,2-trifluoroacetamide
SMILESCCCC[Si](C)(C)NC(=O)C(F)(F)F
InChIInChI=1S/C8H16F3NOSi/c1-4-5-6-14(2,3)12-7(13)8(9,10)11/h4-6H2,1-3H3,(H,12,13)
InChIKeyFXASDGZDIQTZDA-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.67
Rot. Bonds4

About N-[butyl(dimethyl)silyl]-2,2,2-trifluoroacetamide

N-[butyl(dimethyl)silyl]-2,2,2-trifluoroacetamide (PubChem CID 56620199) has the molecular formula C8H16F3NOSi and a molecular weight of 227.30 g/mol. Its IUPAC name is N-[butyl(dimethyl)silyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[butyl(dimethyl)silyl]-2,2,2-trifluoroacetamide
PubChem CID56620199
Molecular FormulaC8H16F3NOSi
Molecular Weight227.30 g/mol
Exact Mass227.10
IUPAC NameN-[butyl(dimethyl)silyl]-2,2,2-trifluoroacetamide
SMILESCCCC[Si](C)(C)NC(=O)C(F)(F)F
InChIInChI=1S/C8H16F3NOSi/c1-4-5-6-14(2,3)12-7(13)8(9,10)11/h4-6H2,1-3H3,(H,12,13)
InChIKeyFXASDGZDIQTZDA-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.67
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 N-[butyl(dimethyl)silyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[butyl(dimethyl)silyl]-2,2,2-trifluoroacetamide (CID 56620199) is N-[butyl(dimethyl)silyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[butyl(dimethyl)silyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[butyl(dimethyl)silyl]-2,2,2-trifluoroacetamide is CCCC[Si](C)(C)NC(=O)C(F)(F)F.
What is the InChIKey of N-[butyl(dimethyl)silyl]-2,2,2-trifluoroacetamide?
The InChIKey is FXASDGZDIQTZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NOSi/c1-4-5-6-14(2,3)12-7(13)8(9,10)11/h4-6H2,1-3H3,(H,12,13).
What are the key properties of N-[butyl(dimethyl)silyl]-2,2,2-trifluoroacetamide?
N-[butyl(dimethyl)silyl]-2,2,2-trifluoroacetamide has a molecular weight of 227.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butyl(dimethyl)silyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 56620199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).