2-amino-2-[hydroxy(dimethoxy)silyl]-1-(2,3,4,5,6-pentafluorophenyl)ethanone

C10H10F5NO4Si — CID 90173860

IUPAC2-amino-2-[hydroxy(dimethoxy)silyl]-1-(2,3,4,5,6-pentafluorophenyl)ethanone
SMILESCO[Si](O)(OC)C(N)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H10F5NO4Si/c1-19-21(18,20-2)10(16)9(17)3-4(11)6(13)8(15)7(14)5(3)12/h10,18H,16H2,1-2H3
InChIKeyLTJHZLAXGABHRJ-UHFFFAOYSA-N
MW331.27 g/mol
LogP0.66
Rot. Bonds5

About 2-amino-2-[hydroxy(dimethoxy)silyl]-1-(2,3,4,5,6-pentafluorophenyl)ethanone

2-amino-2-[hydroxy(dimethoxy)silyl]-1-(2,3,4,5,6-pentafluorophenyl)ethanone (PubChem CID 90173860) has the molecular formula C10H10F5NO4Si and a molecular weight of 331.27 g/mol. Its IUPAC name is 2-amino-2-[hydroxy(dimethoxy)silyl]-1-(2,3,4,5,6-pentafluorophenyl)ethanone.

Molecular Properties

Compound Name2-amino-2-[hydroxy(dimethoxy)silyl]-1-(2,3,4,5,6-pentafluorophenyl)ethanone
PubChem CID90173860
Molecular FormulaC10H10F5NO4Si
Molecular Weight331.27 g/mol
Exact Mass331.03
IUPAC Name2-amino-2-[hydroxy(dimethoxy)silyl]-1-(2,3,4,5,6-pentafluorophenyl)ethanone
SMILESCO[Si](O)(OC)C(N)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H10F5NO4Si/c1-19-21(18,20-2)10(16)9(17)3-4(11)6(13)8(15)7(14)5(3)12/h10,18H,16H2,1-2H3
InChIKeyLTJHZLAXGABHRJ-UHFFFAOYSA-N
XLogP0.66
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2,3,4,5,6-pentafluorophenyl) 2-amino-2-[ethyl(dimethoxy)silyl]acetate
CID 90170530
2,2-dichloro-1-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 146007729
methyl 2,3-dihydroxy-3-(2,3,4,5,6-pentafluorophenyl)propanoate
CID 72796767
2,3,4,5,6-pentafluoro-N,N-di(propan-2-yl)benzamide
CID 4575377
ethyl 3-oxo-2-(2,3,4,5,6-pentafluorobenzoyl)butanoate
CID 15467418
methyl (2S)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoate
CID 101254034
methyl 2-amino-2-trimethoxysilylacetate
CID 175332460
methyl 2-chloro-3-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate
CID 103492989
N-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide
CID 90171563
dimethyl 4-amino-3,5,6-trifluorobenzene-1,2-dicarboxylate
CID 12045796
1-(2-acetyl-6-amino-3,4,5-trifluorophenyl)ethanone
CID 87737254
N-acetyl-2,3,4,5,6-pentafluorobenzamide
CID 154547448

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[hydroxy(dimethoxy)silyl]-1-(2,3,4,5,6-pentafluorophenyl)ethanone?
The IUPAC name of 2-amino-2-[hydroxy(dimethoxy)silyl]-1-(2,3,4,5,6-pentafluorophenyl)ethanone (CID 90173860) is 2-amino-2-[hydroxy(dimethoxy)silyl]-1-(2,3,4,5,6-pentafluorophenyl)ethanone.
What is the SMILES notation for 2-amino-2-[hydroxy(dimethoxy)silyl]-1-(2,3,4,5,6-pentafluorophenyl)ethanone?
The canonical SMILES for 2-amino-2-[hydroxy(dimethoxy)silyl]-1-(2,3,4,5,6-pentafluorophenyl)ethanone is CO[Si](O)(OC)C(N)C(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-amino-2-[hydroxy(dimethoxy)silyl]-1-(2,3,4,5,6-pentafluorophenyl)ethanone?
The InChIKey is LTJHZLAXGABHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5NO4Si/c1-19-21(18,20-2)10(16)9(17)3-4(11)6(13)8(15)7(14)5(3)12/h10,18H,16H2,1-2H3.
What are the key properties of 2-amino-2-[hydroxy(dimethoxy)silyl]-1-(2,3,4,5,6-pentafluorophenyl)ethanone?
2-amino-2-[hydroxy(dimethoxy)silyl]-1-(2,3,4,5,6-pentafluorophenyl)ethanone has a molecular weight of 331.27 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[hydroxy(dimethoxy)silyl]-1-(2,3,4,5,6-pentafluorophenyl)ethanone is sourced from PubChem (CID 90173860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).