(2,3,4,5,6-pentafluorophenyl) 2-amino-2-[ethyl(dimethoxy)silyl]acetate

C12H14F5NO4Si — CID 90170530

IUPAC(2,3,4,5,6-pentafluorophenyl) 2-amino-2-[ethyl(dimethoxy)silyl]acetate
SMILESCC[Si](OC)(OC)C(N)C(=O)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H14F5NO4Si/c1-4-23(20-2,21-3)11(18)12(19)22-10-8(16)6(14)5(13)7(15)9(10)17/h11H,4,18H2,1-3H3
InChIKeyBZERBBZWFZOSFE-UHFFFAOYSA-N
MW359.32 g/mol
LogP1.91
Rot. Bonds6

About (2,3,4,5,6-pentafluorophenyl) 2-amino-2-[ethyl(dimethoxy)silyl]acetate

(2,3,4,5,6-pentafluorophenyl) 2-amino-2-[ethyl(dimethoxy)silyl]acetate (PubChem CID 90170530) has the molecular formula C12H14F5NO4Si and a molecular weight of 359.32 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl) 2-amino-2-[ethyl(dimethoxy)silyl]acetate.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl) 2-amino-2-[ethyl(dimethoxy)silyl]acetate
PubChem CID90170530
Molecular FormulaC12H14F5NO4Si
Molecular Weight359.32 g/mol
Exact Mass359.06
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 2-amino-2-[ethyl(dimethoxy)silyl]acetate
SMILESCC[Si](OC)(OC)C(N)C(=O)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H14F5NO4Si/c1-4-23(20-2,21-3)11(18)12(19)22-10-8(16)6(14)5(13)7(15)9(10)17/h11H,4,18H2,1-3H3
InChIKeyBZERBBZWFZOSFE-UHFFFAOYSA-N
XLogP1.91
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

bis(2,3,4,5,6-pentafluorophenyl) 2-ethylpropanedioate
CID 130209958
bis(2,3,4,5,6-pentafluorophenyl) 2-propylpropanedioate
CID 130210024
(2,3,4,5,6-pentafluorophenyl) 2-hydroxypropanoate
CID 117051226
2-amino-2-[hydroxy(dimethoxy)silyl]-1-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 90173860
(2,3,4,5,6-pentafluorophenyl) 2-ethyl-3,3-dimethylbutanoate
CID 163990899
(2,3,4,5,6-pentafluorophenyl) (2S)-2-amino-3-phenylpropanoate
CID 87471483
ethane;ethyl (2,3,4,5,6-pentafluorophenyl) carbonate
CID 171836152
(2,3,4,5,6-pentafluorophenyl) 4-amino-2-methylbutanoate
CID 88576361
(2,3,4,5,6-pentafluorophenyl) (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 172569168
(2,3,4,5,6-pentafluorophenyl) 3-acetylsulfanyl-2-methylpropanoate
CID 71323817
ethyl 2-bromo-3-(2,3,4,5,6-pentafluorophenyl)propanoate
CID 83197488
(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate
CID 90171931

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl) 2-amino-2-[ethyl(dimethoxy)silyl]acetate?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl) 2-amino-2-[ethyl(dimethoxy)silyl]acetate (CID 90170530) is (2,3,4,5,6-pentafluorophenyl) 2-amino-2-[ethyl(dimethoxy)silyl]acetate.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl) 2-amino-2-[ethyl(dimethoxy)silyl]acetate?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl) 2-amino-2-[ethyl(dimethoxy)silyl]acetate is CC[Si](OC)(OC)C(N)C(=O)Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl) 2-amino-2-[ethyl(dimethoxy)silyl]acetate?
The InChIKey is BZERBBZWFZOSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5NO4Si/c1-4-23(20-2,21-3)11(18)12(19)22-10-8(16)6(14)5(13)7(15)9(10)17/h11H,4,18H2,1-3H3.
What are the key properties of (2,3,4,5,6-pentafluorophenyl) 2-amino-2-[ethyl(dimethoxy)silyl]acetate?
(2,3,4,5,6-pentafluorophenyl) 2-amino-2-[ethyl(dimethoxy)silyl]acetate has a molecular weight of 359.32 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl) 2-amino-2-[ethyl(dimethoxy)silyl]acetate is sourced from PubChem (CID 90170530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).