N-[3-[dimethyl-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]silyl]propyl]-2,3,3,3-tetrafluoro-2-(fluoromethoxy)-N-phenylpropanamide

C21H38F5NO6Si5 — CID 167606074

IUPACN-[3-[dimethyl-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]silyl]propyl]-2,3,3,3-tetrafluoro-2-(fluoromethoxy)-N-phenylpropanamide
SMILESC[SiH]1O[SiH](C)O[Si](C)(CC[Si](C)(C)CCCN(C(=O)C(F)(OCF)C(F)(F)F)c2ccccc2)O[SiH](C)O1
InChIInChI=1S/C21H38F5NO6Si5/c1-34-30-35(2)32-38(6,33-36(3)31-34)16-15-37(4,5)14-10-13-27(18-11-8-7-9-12-18)19(28)20(23,29-17-22)21(24,25)26/h7-9,11-12,34-36H,10,13-17H2,1-6H3
InChIKeyGGCZCRWYJZRHBE-UHFFFAOYSA-N
MW635.96 g/mol
LogP4.99
Rot. Bonds11

About N-[3-[dimethyl-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]silyl]propyl]-2,3,3,3-tetrafluoro-2-(fluoromethoxy)-N-phenylpropanamide

N-[3-[dimethyl-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]silyl]propyl]-2,3,3,3-tetrafluoro-2-(fluoromethoxy)-N-phenylpropanamide (PubChem CID 167606074) has the molecular formula C21H38F5NO6Si5 and a molecular weight of 635.96 g/mol. Its IUPAC name is N-[3-[dimethyl-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]silyl]propyl]-2,3,3,3-tetrafluoro-2-(fluoromethoxy)-N-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[dimethyl-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]silyl]propyl]-2,3,3,3-tetrafluoro-2-(fluoromethoxy)-N-phenylpropanamide
PubChem CID167606074
Molecular FormulaC21H38F5NO6Si5
Molecular Weight635.96 g/mol
Exact Mass635.15
IUPAC NameN-[3-[dimethyl-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]silyl]propyl]-2,3,3,3-tetrafluoro-2-(fluoromethoxy)-N-phenylpropanamide
SMILESC[SiH]1O[SiH](C)O[Si](C)(CC[Si](C)(C)CCCN(C(=O)C(F)(OCF)C(F)(F)F)c2ccccc2)O[SiH](C)O1
InChIInChI=1S/C21H38F5NO6Si5/c1-34-30-35(2)32-38(6,33-36(3)31-34)16-15-37(4,5)14-10-13-27(18-11-8-7-9-12-18)19(28)20(23,29-17-22)21(24,25)26/h7-9,11-12,34-36H,10,13-17H2,1-6H3
InChIKeyGGCZCRWYJZRHBE-UHFFFAOYSA-N
XLogP4.99
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.96
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[dimethyl-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]silyl]propyl]-2,3,3,3-tetrafluoro-2-(fluoromethoxy)-N-phenylpropanamide?
The IUPAC name of N-[3-[dimethyl-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]silyl]propyl]-2,3,3,3-tetrafluoro-2-(fluoromethoxy)-N-phenylpropanamide (CID 167606074) is N-[3-[dimethyl-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]silyl]propyl]-2,3,3,3-tetrafluoro-2-(fluoromethoxy)-N-phenylpropanamide.
What is the SMILES notation for N-[3-[dimethyl-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]silyl]propyl]-2,3,3,3-tetrafluoro-2-(fluoromethoxy)-N-phenylpropanamide?
The canonical SMILES for N-[3-[dimethyl-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]silyl]propyl]-2,3,3,3-tetrafluoro-2-(fluoromethoxy)-N-phenylpropanamide is C[SiH]1O[SiH](C)O[Si](C)(CC[Si](C)(C)CCCN(C(=O)C(F)(OCF)C(F)(F)F)c2ccccc2)O[SiH](C)O1.
What is the InChIKey of N-[3-[dimethyl-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]silyl]propyl]-2,3,3,3-tetrafluoro-2-(fluoromethoxy)-N-phenylpropanamide?
The InChIKey is GGCZCRWYJZRHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38F5NO6Si5/c1-34-30-35(2)32-38(6,33-36(3)31-34)16-15-37(4,5)14-10-13-27(18-11-8-7-9-12-18)19(28)20(23,29-17-22)21(24,25)26/h7-9,11-12,34-36H,10,13-17H2,1-6H3.
What are the key properties of N-[3-[dimethyl-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]silyl]propyl]-2,3,3,3-tetrafluoro-2-(fluoromethoxy)-N-phenylpropanamide?
N-[3-[dimethyl-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]silyl]propyl]-2,3,3,3-tetrafluoro-2-(fluoromethoxy)-N-phenylpropanamide has a molecular weight of 635.96 g/mol, XLogP of 4.99, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[dimethyl-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]silyl]propyl]-2,3,3,3-tetrafluoro-2-(fluoromethoxy)-N-phenylpropanamide is sourced from PubChem (CID 167606074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).