2-methyl-N-[1-tris[[dimethyl(1,1,2-trifluoropropyl)silyl]oxy]silylpropyl]prop-2-enamide

C22H42F9NO4Si4 — CID 88661829

IUPAC2-methyl-N-[1-tris[[dimethyl(1,1,2-trifluoropropyl)silyl]oxy]silylpropyl]prop-2-enamide
SMILESC=C(C)C(=O)NC(CC)[Si](O[Si](C)(C)C(F)(F)C(C)F)(O[Si](C)(C)C(F)(F)C(C)F)O[Si](C)(C)C(F)(F)C(C)F
InChIInChI=1S/C22H42F9NO4Si4/c1-13-18(32-19(33)14(2)3)40(34-37(7,8)20(26,27)15(4)23,35-38(9,10)21(28,29)16(5)24)36-39(11,12)22(30,31)17(6)25/h15-18H,2,13H2,1,3-12H3,(H,32,33)
InChIKeySDTOIDUAPHPJLZ-UHFFFAOYSA-N
MW667.91 g/mol
LogP7.20
Rot. Bonds16

About 2-methyl-N-[1-tris[[dimethyl(1,1,2-trifluoropropyl)silyl]oxy]silylpropyl]prop-2-enamide

2-methyl-N-[1-tris[[dimethyl(1,1,2-trifluoropropyl)silyl]oxy]silylpropyl]prop-2-enamide (PubChem CID 88661829) has the molecular formula C22H42F9NO4Si4 and a molecular weight of 667.91 g/mol. Its IUPAC name is 2-methyl-N-[1-tris[[dimethyl(1,1,2-trifluoropropyl)silyl]oxy]silylpropyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[1-tris[[dimethyl(1,1,2-trifluoropropyl)silyl]oxy]silylpropyl]prop-2-enamide
PubChem CID88661829
Molecular FormulaC22H42F9NO4Si4
Molecular Weight667.91 g/mol
Exact Mass667.20
IUPAC Name2-methyl-N-[1-tris[[dimethyl(1,1,2-trifluoropropyl)silyl]oxy]silylpropyl]prop-2-enamide
SMILESC=C(C)C(=O)NC(CC)[Si](O[Si](C)(C)C(F)(F)C(C)F)(O[Si](C)(C)C(F)(F)C(C)F)O[Si](C)(C)C(F)(F)C(C)F
InChIInChI=1S/C22H42F9NO4Si4/c1-13-18(32-19(33)14(2)3)40(34-37(7,8)20(26,27)15(4)23,35-38(9,10)21(28,29)16(5)24)36-39(11,12)22(30,31)17(6)25/h15-18H,2,13H2,1,3-12H3,(H,32,33)
InChIKeySDTOIDUAPHPJLZ-UHFFFAOYSA-N
XLogP7.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.91
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-tris[[dimethyl(1,1,2-trifluoropropyl)silyl]oxy]silylpropyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[1-tris[[dimethyl(1,1,2-trifluoropropyl)silyl]oxy]silylpropyl]prop-2-enamide (CID 88661829) is 2-methyl-N-[1-tris[[dimethyl(1,1,2-trifluoropropyl)silyl]oxy]silylpropyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[1-tris[[dimethyl(1,1,2-trifluoropropyl)silyl]oxy]silylpropyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[1-tris[[dimethyl(1,1,2-trifluoropropyl)silyl]oxy]silylpropyl]prop-2-enamide is C=C(C)C(=O)NC(CC)[Si](O[Si](C)(C)C(F)(F)C(C)F)(O[Si](C)(C)C(F)(F)C(C)F)O[Si](C)(C)C(F)(F)C(C)F.
What is the InChIKey of 2-methyl-N-[1-tris[[dimethyl(1,1,2-trifluoropropyl)silyl]oxy]silylpropyl]prop-2-enamide?
The InChIKey is SDTOIDUAPHPJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42F9NO4Si4/c1-13-18(32-19(33)14(2)3)40(34-37(7,8)20(26,27)15(4)23,35-38(9,10)21(28,29)16(5)24)36-39(11,12)22(30,31)17(6)25/h15-18H,2,13H2,1,3-12H3,(H,32,33).
What are the key properties of 2-methyl-N-[1-tris[[dimethyl(1,1,2-trifluoropropyl)silyl]oxy]silylpropyl]prop-2-enamide?
2-methyl-N-[1-tris[[dimethyl(1,1,2-trifluoropropyl)silyl]oxy]silylpropyl]prop-2-enamide has a molecular weight of 667.91 g/mol, XLogP of 7.20, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-tris[[dimethyl(1,1,2-trifluoropropyl)silyl]oxy]silylpropyl]prop-2-enamide is sourced from PubChem (CID 88661829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).