N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide

C12H22F5NO2Si — CID 91740530

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide
SMILESCN(CCO[Si](C)(C)C(C)(C)C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H22F5NO2Si/c1-10(2,3)21(5,6)20-8-7-18(4)9(19)11(13,14)12(15,16)17/h7-8H2,1-6H3
InChIKeyNULQRDKCPMYFIO-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.66
Rot. Bonds5

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide (PubChem CID 91740530) has the molecular formula C12H22F5NO2Si and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide
PubChem CID91740530
Molecular FormulaC12H22F5NO2Si
Molecular Weight335.39 g/mol
Exact Mass335.13
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide
SMILESCN(CCO[Si](C)(C)C(C)(C)C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H22F5NO2Si/c1-10(2,3)21(5,6)20-8-7-18(4)9(19)11(13,14)12(15,16)17/h7-8H2,1-6H3
InChIKeyNULQRDKCPMYFIO-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide (CID 91740530) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide is CN(CCO[Si](C)(C)C(C)(C)C)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide?
The InChIKey is NULQRDKCPMYFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F5NO2Si/c1-10(2,3)21(5,6)20-8-7-18(4)9(19)11(13,14)12(15,16)17/h7-8H2,1-6H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide?
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide has a molecular weight of 335.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide is sourced from PubChem (CID 91740530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).