3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide

C16H34F3NO7Si2 — CID 176815905

IUPAC3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide
SMILESCO[Si](CCCN(CCC[Si](OC)(OC)OC)C(=O)CC(F)C(F)F)(OC)OC
InChIInChI=1S/C16H34F3NO7Si2/c1-22-28(23-2,24-3)11-7-9-20(15(21)13-14(17)16(18)19)10-8-12-29(25-4,26-5)27-6/h14,16H,7-13H2,1-6H3
InChIKeyAJVPWCIWPYGSHP-UHFFFAOYSA-N
MW465.61 g/mol
LogP2.34
Rot. Bonds17

About 3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide

3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide (PubChem CID 176815905) has the molecular formula C16H34F3NO7Si2 and a molecular weight of 465.61 g/mol. Its IUPAC name is 3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide.

Molecular Properties

Compound Name3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide
PubChem CID176815905
Molecular FormulaC16H34F3NO7Si2
Molecular Weight465.61 g/mol
Exact Mass465.18
IUPAC Name3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide
SMILESCO[Si](CCCN(CCC[Si](OC)(OC)OC)C(=O)CC(F)C(F)F)(OC)OC
InChIInChI=1S/C16H34F3NO7Si2/c1-22-28(23-2,24-3)11-7-9-20(15(21)13-14(17)16(18)19)10-8-12-29(25-4,26-5)27-6/h14,16H,7-13H2,1-6H3
InChIKeyAJVPWCIWPYGSHP-UHFFFAOYSA-N
XLogP2.34
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.61
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide
CID 168863060
2-hydroxy-N,N-bis(3-trimethoxysilylpropyl)propanamide
CID 140720922
2-methanidyloxyacetic acid;2-methanidyloxy-N,N-bis(3-trimethoxysilylpropyl)acetamide;bis(rutherfordium)
CID 157219113
N-methyl-N-(3-trimethoxysilylpropyl)propanamide
CID 87495957
CID 131883983
CID 131883983
2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide
CID 71445465
methyl(3-trimethoxysilylpropyl)carbamic acid
CID 71432003
trisodium;N-carboxylato-N-[2-[carboxylato(3-trimethoxysilylpropyl)amino]ethyl]carbamate
CID 90475505
N-[3-[propanoyl(3-trimethoxysilylpropyl)amino]propyl]carbamoyl fluoride;1,2,2-trifluoropropane
CID 90715116
ethyl N,N-bis[3-tris(trimethoxysilyloxy)silylpropyl]carbamate
CID 167678976
N-methanidyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propanamide;rutherfordium
CID 162464001
4-amino-N,N-dibutyl-3-methoxybutanamide
CID 103154284

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide?
The IUPAC name of 3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide (CID 176815905) is 3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide.
What is the SMILES notation for 3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide?
The canonical SMILES for 3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide is CO[Si](CCCN(CCC[Si](OC)(OC)OC)C(=O)CC(F)C(F)F)(OC)OC.
What is the InChIKey of 3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide?
The InChIKey is AJVPWCIWPYGSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34F3NO7Si2/c1-22-28(23-2,24-3)11-7-9-20(15(21)13-14(17)16(18)19)10-8-12-29(25-4,26-5)27-6/h14,16H,7-13H2,1-6H3.
What are the key properties of 3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide?
3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide has a molecular weight of 465.61 g/mol, XLogP of 2.34, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide is sourced from PubChem (CID 176815905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).