N-[tert-butyl(methyl)silyl]-2,2,2-trifluoroacetamide

C7H14F3NOSi — CID 154049838

IUPACN-[tert-butyl(methyl)silyl]-2,2,2-trifluoroacetamide
SMILESC[SiH](NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C7H14F3NOSi/c1-6(2,3)13(4)11-5(12)7(8,9)10/h13H,1-4H3,(H,11,12)
InChIKeyMGZGZIGFZJDBMH-UHFFFAOYSA-N
MW213.27 g/mol
LogP1.82
Rot. Bonds1

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

N-[tert-butyl(methyl)silyl]-2,2,2-trifluoroacetamide (PubChem CID 154049838) has the molecular formula C7H14F3NOSi and a molecular weight of 213.27 g/mol. Its IUPAC name is N-[tert-butyl(methyl)silyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[tert-butyl(methyl)silyl]-2,2,2-trifluoroacetamide
PubChem CID154049838
Molecular FormulaC7H14F3NOSi
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC NameN-[tert-butyl(methyl)silyl]-2,2,2-trifluoroacetamide
SMILESC[SiH](NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C7H14F3NOSi/c1-6(2,3)13(4)11-5(12)7(8,9)10/h13H,1-4H3,(H,11,12)
InChIKeyMGZGZIGFZJDBMH-UHFFFAOYSA-N
XLogP1.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[tert-Butyl(dimethyl)silyl]-2,2,2-trifluoroacetamide
CID 14325428
Butyl-dimethylsilyl trifluoroacetamide
CID 56620199
N-methyl-N-t-butyldimethylsilyl trifluoroacetamide
CID 129664734
N-[ethyl(dimethyl)silyl]-2,2,2-trifluoroacetamide
CID 129689313
N-methyl-N-trifluorotrimethylsilyl acetamide
CID 129848424
N-methyl-trimethylsilyltrifluormethylacetamide
CID 129776095
N-acetyl-N-(trimethylsilyl) trifluoroacetamide
CID 129882853
2,2,2-trifluoro-N-tributylsilylacetamide
CID 20314537
3,3,3-trifluoro-N-trimethylsilylpropanamide
CID 21411498
3,3,3-Trifluoro-2-methyl-2-trimethylsilylpropanamide
CID 57209186
3,3,3-Trifluoro-2-(trifluoromethyl)-2-trimethylsilylpropanamide
CID 87094722
N-[dimethyl(2-methylpropyl)silyl]-2,2,2-trifluoroacetamide
CID 87376314

Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(methyl)silyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[tert-butyl(methyl)silyl]-2,2,2-trifluoroacetamide (CID 154049838) is N-[tert-butyl(methyl)silyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[tert-butyl(methyl)silyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[tert-butyl(methyl)silyl]-2,2,2-trifluoroacetamide is C[SiH](NC(=O)C(F)(F)F)C(C)(C)C.
What is the InChIKey of N-[tert-butyl(methyl)silyl]-2,2,2-trifluoroacetamide?
The InChIKey is MGZGZIGFZJDBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NOSi/c1-6(2,3)13(4)11-5(12)7(8,9)10/h13H,1-4H3,(H,11,12).
What are the key properties of N-[tert-butyl(methyl)silyl]-2,2,2-trifluoroacetamide?
N-[tert-butyl(methyl)silyl]-2,2,2-trifluoroacetamide has a molecular weight of 213.27 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(methyl)silyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 154049838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).