N-Methyl-N-(tert-butyldimethylsilyl)trifluoroacetamide
Properties
- Molecular formula
- C9H18F3NOSi
- Molar mass
- 241.33 g/mol
- Exact mass
- 241.1110 Da
- Density
- 1.02 g/mL
- Boiling point
- 168–170 °C
- logP
- 3.01Crippen estimate
- Polar surface area
- 20.3 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation97.8% of notifiers
- H319 Causes serious eye irritation97.8% of notifiers
- H335 May cause respiratory irritation95.7% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
77377-52-7SMILES
CN(C(=O)C(F)(F)F)[Si](C)(C)C(C)(C)CInChIKey
QRKUHYFDBWGLHJ-UHFFFAOYSA-NInChI
InChI=1S/C9H18F3NOSi/c1-8(2,3)15(5,6)13(4)7(14)9(10,11)12/h1-6H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Acetamide, N-[(1,1-dimethylethyl)dimethylsilyl]-2,2,2-trifluoro-N-methyl-
- N-[(1,1-Dimethylethyl)dimethylsilyl]-2,2,2-trifluoro-N-methylacetamide
- N-(tert-Butyldimethylsilyl)-N-methyltrifluoroacetamide
- N-Methyl-N-(tert-butyldimethylsilyl)-1,1,1-trifluoroacetamide
- N-Methyl-N-(tert-butyltdimethylsilyl)trifluoroacetamide
- N-(Tertbutyldimethylsilyl)-N-methyltrifluoroacetamide
Work with N-Methyl-N-(tert-butyldimethylsilyl)trifluoroacetamide
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
N-Methyl-N-(trimethylsilyl)trifluoroacetamide24589-78-461 % similar
2,2,2-Trifluoro-N,N-dimethylacetamide1547-87-145 % similar
N-Methylbis(trifluoroacetyl)imide685-27-845 % similar
2,2,2-Trifluoro-N-methoxy-N-methylacetamide104863-67-439 % similar
N,N-Diethyl-2,2,2-trifluoroacetamide360-92-937 % similar
N-Methyl-N-trimethylsilylheptafluorobutyramide53296-64-337 % similar
1-Trifluoroacetyl piperidine340-07-833 % similar
N-Methyl-N-(trimethylsilyl)acetamide7449-74-331 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.