N-[3-[[2-[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide

C24H28F12N2O4Si2 — CID 170703042

IUPACN-[3-[[2-[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
SMILESC[Si](C)(CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)c1ccccc1[Si](C)(C)CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C24H28F12N2O4Si2/c1-43(2,13-7-11-37(17(39)21(25,26)27)18(40)22(28,29)30)15-9-5-6-10-16(15)44(3,4)14-8-12-38(19(41)23(31,32)33)20(42)24(34,35)36/h5-6,9-10H,7-8,11-14H2,1-4H3
InChIKeyBFLUIACEGYZKGT-UHFFFAOYSA-N
MW692.65 g/mol
LogP5.26
Rot. Bonds10

About N-[3-[[2-[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide

N-[3-[[2-[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide (PubChem CID 170703042) has the molecular formula C24H28F12N2O4Si2 and a molecular weight of 692.65 g/mol. Its IUPAC name is N-[3-[[2-[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide.

Molecular Properties

Compound NameN-[3-[[2-[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
PubChem CID170703042
Molecular FormulaC24H28F12N2O4Si2
Molecular Weight692.65 g/mol
Exact Mass692.14
IUPAC NameN-[3-[[2-[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
SMILESC[Si](C)(CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)c1ccccc1[Si](C)(C)CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C24H28F12N2O4Si2/c1-43(2,13-7-11-37(17(39)21(25,26)27)18(40)22(28,29)30)15-9-5-6-10-16(15)44(3,4)14-8-12-38(19(41)23(31,32)33)20(42)24(34,35)36/h5-6,9-10H,7-8,11-14H2,1-4H3
InChIKeyBFLUIACEGYZKGT-UHFFFAOYSA-N
XLogP5.26
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.65
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[[2-[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The IUPAC name of N-[3-[[2-[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide (CID 170703042) is N-[3-[[2-[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide.
What is the SMILES notation for N-[3-[[2-[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The canonical SMILES for N-[3-[[2-[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide is C[Si](C)(CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)c1ccccc1[Si](C)(C)CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of N-[3-[[2-[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The InChIKey is BFLUIACEGYZKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F12N2O4Si2/c1-43(2,13-7-11-37(17(39)21(25,26)27)18(40)22(28,29)30)15-9-5-6-10-16(15)44(3,4)14-8-12-38(19(41)23(31,32)33)20(42)24(34,35)36/h5-6,9-10H,7-8,11-14H2,1-4H3.
What are the key properties of N-[3-[[2-[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
N-[3-[[2-[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide has a molecular weight of 692.65 g/mol, XLogP of 5.26, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide is sourced from PubChem (CID 170703042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).