2,2,2-trifluoroethyl 2-acetamidoacetate

C6H8F3NO3 — CID 75414226

IUPAC2,2,2-trifluoroethyl 2-acetamidoacetate
SMILESCC(=O)NCC(=O)OCC(F)(F)F
InChIInChI=1S/C6H8F3NO3/c1-4(11)10-2-5(12)13-3-6(7,8)9/h2-3H2,1H3,(H,10,11)
InChIKeyNQLDJUIZRSOZSW-UHFFFAOYSA-N
MW199.13 g/mol
LogP0.23
Rot. Bonds3

About 2,2,2-trifluoroethyl 2-acetamidoacetate

2,2,2-trifluoroethyl 2-acetamidoacetate (PubChem CID 75414226) has the molecular formula C6H8F3NO3 and a molecular weight of 199.13 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-acetamidoacetate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-acetamidoacetate
PubChem CID75414226
Molecular FormulaC6H8F3NO3
Molecular Weight199.13 g/mol
Exact Mass199.05
IUPAC Name2,2,2-trifluoroethyl 2-acetamidoacetate
SMILESCC(=O)NCC(=O)OCC(F)(F)F
InChIInChI=1S/C6H8F3NO3/c1-4(11)10-2-5(12)13-3-6(7,8)9/h2-3H2,1H3,(H,10,11)
InChIKeyNQLDJUIZRSOZSW-UHFFFAOYSA-N
XLogP0.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl acetamidoacetate
CID 74702
Methyl 2-acetamidoacetate
CID 517966
Glycine, N-(trifluoroacetyl)-, methyl ester
CID 136228
2-Acetamidoethyl acetate
CID 85319
Ethyl 2-(2,2,2-trifluoroacetamido)acetate
CID 580910
Ethyl glycylglycinate
CID 124706
N-(N-(Trifluoroacetyl)glycyl)glycine methyl ester
CID 136282
Glycine, N-[N-[N-(trifluoroacetyl)glycyl]glycyl]-, methyl ester
CID 533959
Ethyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate
CID 4157408
N-(2-methoxyethyl)trifluoroacetamide
CID 4104851
L-Alanine, N-(trifluoroacetyl)-, butyl ester
CID 13783312
Acetic acid, (2-fluoroacetamido)-, ethyl ester
CID 9749

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-acetamidoacetate?
The IUPAC name of 2,2,2-trifluoroethyl 2-acetamidoacetate (CID 75414226) is 2,2,2-trifluoroethyl 2-acetamidoacetate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-acetamidoacetate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-acetamidoacetate is CC(=O)NCC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 2-acetamidoacetate?
The InChIKey is NQLDJUIZRSOZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO3/c1-4(11)10-2-5(12)13-3-6(7,8)9/h2-3H2,1H3,(H,10,11).
What are the key properties of 2,2,2-trifluoroethyl 2-acetamidoacetate?
2,2,2-trifluoroethyl 2-acetamidoacetate has a molecular weight of 199.13 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-acetamidoacetate is sourced from PubChem (CID 75414226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).