N-[3-[dimethyl-[3-tris(dimethylsilyloxy)silylpropyl]silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide

C24H40F11NO5Si5 — CID 162507895

IUPACN-[3-[dimethyl-[3-tris(dimethylsilyloxy)silylpropyl]silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide
SMILESCN(C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1cccc([Si](C)(C)CCC[Si](O[SiH](C)C)(O[SiH](C)C)O[SiH](C)C)c1
InChIInChI=1S/C24H40F11NO5Si5/c1-36(19(37)20(25,22(28,29)30)38-24(34,35)21(26,27)23(31,32)33)17-12-10-13-18(16-17)45(8,9)14-11-15-46(39-42(2)3,40-43(4)5)41-44(6)7/h10,12-13,16,42-44H,11,14-15H2,1-9H3
InChIKeyMBXTXRPPEUTQDJ-UHFFFAOYSA-N
MW771.99 g/mol
LogP6.93
Rot. Bonds16

About N-[3-[dimethyl-[3-tris(dimethylsilyloxy)silylpropyl]silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide

N-[3-[dimethyl-[3-tris(dimethylsilyloxy)silylpropyl]silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide (PubChem CID 162507895) has the molecular formula C24H40F11NO5Si5 and a molecular weight of 771.99 g/mol. Its IUPAC name is N-[3-[dimethyl-[3-tris(dimethylsilyloxy)silylpropyl]silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-[3-[dimethyl-[3-tris(dimethylsilyloxy)silylpropyl]silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide
PubChem CID162507895
Molecular FormulaC24H40F11NO5Si5
Molecular Weight771.99 g/mol
Exact Mass771.16
IUPAC NameN-[3-[dimethyl-[3-tris(dimethylsilyloxy)silylpropyl]silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide
SMILESCN(C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1cccc([Si](C)(C)CCC[Si](O[SiH](C)C)(O[SiH](C)C)O[SiH](C)C)c1
InChIInChI=1S/C24H40F11NO5Si5/c1-36(19(37)20(25,22(28,29)30)38-24(34,35)21(26,27)23(31,32)33)17-12-10-13-18(16-17)45(8,9)14-11-15-46(39-42(2)3,40-43(4)5)41-44(6)7/h10,12-13,16,42-44H,11,14-15H2,1-9H3
InChIKeyMBXTXRPPEUTQDJ-UHFFFAOYSA-N
XLogP6.93
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.99
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[3-[dimethyl-[3-tris(dimethylsilyloxy)silylpropyl]silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide?
The IUPAC name of N-[3-[dimethyl-[3-tris(dimethylsilyloxy)silylpropyl]silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide (CID 162507895) is N-[3-[dimethyl-[3-tris(dimethylsilyloxy)silylpropyl]silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide.
What is the SMILES notation for N-[3-[dimethyl-[3-tris(dimethylsilyloxy)silylpropyl]silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide?
The canonical SMILES for N-[3-[dimethyl-[3-tris(dimethylsilyloxy)silylpropyl]silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide is CN(C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1cccc([Si](C)(C)CCC[Si](O[SiH](C)C)(O[SiH](C)C)O[SiH](C)C)c1.
What is the InChIKey of N-[3-[dimethyl-[3-tris(dimethylsilyloxy)silylpropyl]silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide?
The InChIKey is MBXTXRPPEUTQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40F11NO5Si5/c1-36(19(37)20(25,22(28,29)30)38-24(34,35)21(26,27)23(31,32)33)17-12-10-13-18(16-17)45(8,9)14-11-15-46(39-42(2)3,40-43(4)5)41-44(6)7/h10,12-13,16,42-44H,11,14-15H2,1-9H3.
What are the key properties of N-[3-[dimethyl-[3-tris(dimethylsilyloxy)silylpropyl]silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide?
N-[3-[dimethyl-[3-tris(dimethylsilyloxy)silylpropyl]silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide has a molecular weight of 771.99 g/mol, XLogP of 6.93, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[dimethyl-[3-tris(dimethylsilyloxy)silylpropyl]silyl]phenyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide is sourced from PubChem (CID 162507895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).