N-[3-[dimethoxy(3,3,3-trifluoropropyl)silyl]propyl]-2-methylprop-2-enamide

C12H22F3NO3Si — CID 139841320

IUPACN-[3-[dimethoxy(3,3,3-trifluoropropyl)silyl]propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC[Si](CCC(F)(F)F)(OC)OC
InChIInChI=1S/C12H22F3NO3Si/c1-10(2)11(17)16-7-5-8-20(18-3,19-4)9-6-12(13,14)15/h1,5-9H2,2-4H3,(H,16,17)
InChIKeyVJZPWYHFDSRLBZ-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.76
Rot. Bonds9

About N-[3-[dimethoxy(3,3,3-trifluoropropyl)silyl]propyl]-2-methylprop-2-enamide

N-[3-[dimethoxy(3,3,3-trifluoropropyl)silyl]propyl]-2-methylprop-2-enamide (PubChem CID 139841320) has the molecular formula C12H22F3NO3Si and a molecular weight of 313.39 g/mol. Its IUPAC name is N-[3-[dimethoxy(3,3,3-trifluoropropyl)silyl]propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[dimethoxy(3,3,3-trifluoropropyl)silyl]propyl]-2-methylprop-2-enamide
PubChem CID139841320
Molecular FormulaC12H22F3NO3Si
Molecular Weight313.39 g/mol
Exact Mass313.13
IUPAC NameN-[3-[dimethoxy(3,3,3-trifluoropropyl)silyl]propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC[Si](CCC(F)(F)F)(OC)OC
InChIInChI=1S/C12H22F3NO3Si/c1-10(2)11(17)16-7-5-8-20(18-3,19-4)9-6-12(13,14)15/h1,5-9H2,2-4H3,(H,16,17)
InChIKeyVJZPWYHFDSRLBZ-UHFFFAOYSA-N
XLogP2.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-(Triethoxysilyl)propyl)methacrylamide
CID 9857164
N-(3-(Diethoxy(methoxy)silyl)propyl)methacrylamide
CID 140675213
N-(3-(Ethoxydimethoxysilyl)propyl)methacrylamide
CID 152237947
N-(3-(1,1,1,5,5,5-Hexamethyl-3-((trimethylsilyl)oxy)trisiloxan-3-yl)propyl)methacrylamide
CID 16051444
2-Propenamide, 2-methyl-N-[3-(trimethoxysilyl)propyl]-
CID 13879167
2-methyl-N-[3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl]prop-2-enamide
CID 20158529
2-methyl-N-[1-tris[[dimethyl(1,1,2-trifluoropropyl)silyl]oxy]silylpropyl]prop-2-enamide
CID 88661829
2-methyl-N-[1-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide
CID 18769275
Methacrylamidopropylbis(trimethylsiloxy)methylsilane
CID 19812131
2-methyl-N-[1-tris[[tert-butyl(dimethyl)silyl]oxy]silylpropyl]prop-2-enamide
CID 20158528
2-methyl-N-[3-tris[[butyl(dimethyl)silyl]oxy]silylpropyl]prop-2-enamide
CID 20158532
2-methyl-N-[1-tris[[methyl(dipropyl)silyl]oxy]silylpropyl]prop-2-enamide
CID 20158550

Frequently Asked Questions

What is the IUPAC name of N-[3-[dimethoxy(3,3,3-trifluoropropyl)silyl]propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-[dimethoxy(3,3,3-trifluoropropyl)silyl]propyl]-2-methylprop-2-enamide (CID 139841320) is N-[3-[dimethoxy(3,3,3-trifluoropropyl)silyl]propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-[dimethoxy(3,3,3-trifluoropropyl)silyl]propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-[dimethoxy(3,3,3-trifluoropropyl)silyl]propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCC[Si](CCC(F)(F)F)(OC)OC.
What is the InChIKey of N-[3-[dimethoxy(3,3,3-trifluoropropyl)silyl]propyl]-2-methylprop-2-enamide?
The InChIKey is VJZPWYHFDSRLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO3Si/c1-10(2)11(17)16-7-5-8-20(18-3,19-4)9-6-12(13,14)15/h1,5-9H2,2-4H3,(H,16,17).
What are the key properties of N-[3-[dimethoxy(3,3,3-trifluoropropyl)silyl]propyl]-2-methylprop-2-enamide?
N-[3-[dimethoxy(3,3,3-trifluoropropyl)silyl]propyl]-2-methylprop-2-enamide has a molecular weight of 313.39 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[dimethoxy(3,3,3-trifluoropropyl)silyl]propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 139841320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).