N-[3-[propanoyl(3-trimethoxysilylpropyl)amino]propyl]carbamoyl fluoride;1,2,2-trifluoropropane

C16H32F4N2O5Si — CID 90715116

IUPACN-[3-[propanoyl(3-trimethoxysilylpropyl)amino]propyl]carbamoyl fluoride;1,2,2-trifluoropropane
SMILESCC(F)(F)CF.CCC(=O)N(CCCNC(=O)F)CCC[Si](OC)(OC)OC
InChIInChI=1S/C13H27FN2O5Si.C3H5F3/c1-5-12(17)16(9-6-8-15-13(14)18)10-7-11-22(19-2,20-3)21-4;1-3(5,6)2-4/h5-11H2,1-4H3,(H,15,18);2H2,1H3
InChIKeyYDENLASOMKUESC-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.17
Rot. Bonds13

About N-[3-[propanoyl(3-trimethoxysilylpropyl)amino]propyl]carbamoyl fluoride;1,2,2-trifluoropropane

N-[3-[propanoyl(3-trimethoxysilylpropyl)amino]propyl]carbamoyl fluoride;1,2,2-trifluoropropane (PubChem CID 90715116) has the molecular formula C16H32F4N2O5Si and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[3-[propanoyl(3-trimethoxysilylpropyl)amino]propyl]carbamoyl fluoride;1,2,2-trifluoropropane.

Molecular Properties

Compound NameN-[3-[propanoyl(3-trimethoxysilylpropyl)amino]propyl]carbamoyl fluoride;1,2,2-trifluoropropane
PubChem CID90715116
Molecular FormulaC16H32F4N2O5Si
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC NameN-[3-[propanoyl(3-trimethoxysilylpropyl)amino]propyl]carbamoyl fluoride;1,2,2-trifluoropropane
SMILESCC(F)(F)CF.CCC(=O)N(CCCNC(=O)F)CCC[Si](OC)(OC)OC
InChIInChI=1S/C13H27FN2O5Si.C3H5F3/c1-5-12(17)16(9-6-8-15-13(14)18)10-7-11-22(19-2,20-3)21-4;1-3(5,6)2-4/h5-11H2,1-4H3,(H,15,18);2H2,1H3
InChIKeyYDENLASOMKUESC-UHFFFAOYSA-N
XLogP3.17
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide
CID 168863060
N-methyl-N-(3-trimethoxysilylpropyl)propanamide
CID 87495957
3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide
CID 176815905
N,N'-bis(3-trimethoxysilylpropyl)ethane-1,2-diamine;2-[(1,1-difluoro-2-methoxyethoxy)-difluoromethoxy]-N-(3-trimethoxysilylpropyl)-N-[6-(3-trimethoxysilylpropylamino)hexyl]acetamide
CID 159798028
2-methanidyloxyacetic acid;2-methanidyloxy-N,N-bis(3-trimethoxysilylpropyl)acetamide;bis(rutherfordium)
CID 157219113
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl(propanoyl)amino]propyl]propanamide
CID 20740586
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
2-hydroxy-N,N-bis(3-trimethoxysilylpropyl)propanamide
CID 140720922
tert-butyl(3-trimethoxysilylpropyl)carbamic acid
CID 23175203
2-[bis[2-[carboxymethyl-[2-oxo-2-(3-trimethoxysilylpropylamino)ethyl]amino]ethyl]amino]acetic acid
CID 102089398
3-(3-trimethoxysilylpropyl)-1,1-bis[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]urea
CID 20743189
2-[2-[3-[dimethoxy(methyl)silyl]propyl-propylamino]-2-oxoethoxy]-N,N-dipropylacetamide
CID 158252099

Frequently Asked Questions

What is the IUPAC name of N-[3-[propanoyl(3-trimethoxysilylpropyl)amino]propyl]carbamoyl fluoride;1,2,2-trifluoropropane?
The IUPAC name of N-[3-[propanoyl(3-trimethoxysilylpropyl)amino]propyl]carbamoyl fluoride;1,2,2-trifluoropropane (CID 90715116) is N-[3-[propanoyl(3-trimethoxysilylpropyl)amino]propyl]carbamoyl fluoride;1,2,2-trifluoropropane.
What is the SMILES notation for N-[3-[propanoyl(3-trimethoxysilylpropyl)amino]propyl]carbamoyl fluoride;1,2,2-trifluoropropane?
The canonical SMILES for N-[3-[propanoyl(3-trimethoxysilylpropyl)amino]propyl]carbamoyl fluoride;1,2,2-trifluoropropane is CC(F)(F)CF.CCC(=O)N(CCCNC(=O)F)CCC[Si](OC)(OC)OC.
What is the InChIKey of N-[3-[propanoyl(3-trimethoxysilylpropyl)amino]propyl]carbamoyl fluoride;1,2,2-trifluoropropane?
The InChIKey is YDENLASOMKUESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2O5Si.C3H5F3/c1-5-12(17)16(9-6-8-15-13(14)18)10-7-11-22(19-2,20-3)21-4;1-3(5,6)2-4/h5-11H2,1-4H3,(H,15,18);2H2,1H3.
What are the key properties of N-[3-[propanoyl(3-trimethoxysilylpropyl)amino]propyl]carbamoyl fluoride;1,2,2-trifluoropropane?
N-[3-[propanoyl(3-trimethoxysilylpropyl)amino]propyl]carbamoyl fluoride;1,2,2-trifluoropropane has a molecular weight of 436.52 g/mol, XLogP of 3.17, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[propanoyl(3-trimethoxysilylpropyl)amino]propyl]carbamoyl fluoride;1,2,2-trifluoropropane is sourced from PubChem (CID 90715116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).