butan-2-yl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate

C10H16F3NO3 — CID 592935

IUPACbutan-2-yl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCCC(C)OC(=O)CN(CC)C(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-4-7(3)17-8(15)6-14(5-2)9(16)10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyZINLMJYEVQICPW-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.74
Rot. Bonds5

About butan-2-yl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate

butan-2-yl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 592935) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is butan-2-yl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Namebutan-2-yl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID592935
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Namebutan-2-yl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCCC(C)OC(=O)CN(CC)C(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-4-7(3)17-8(15)6-14(5-2)9(16)10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyZINLMJYEVQICPW-UHFFFAOYSA-N
XLogP1.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Isopropyl [(trifluoroacetyl)amino]acetate
CID 529794
Sarcosine, n-pentafluoropropionyl-, propyl ester
CID 91730517
2a{[2a(Acetyloxy)a3-(perfluoroalkyl)propyl]dimethylazaniumyl}acetate
CID 165368046
Glycine, N-(trifluoroacetyl)-, 1-methylbutyl ester
CID 539388
Glycine, N-methyl-N-(trifluoroacetyl)-, 1-methylpentyl ester
CID 539674
Hexan-2-yl 2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate
CID 539678
Glycine, N-(trifluoroacetyl)-, 1-methylpropyl ester
CID 546365
Glycine, N-methyl-N-(trifluoroacetyl)-, butyl ester
CID 587635
Glycine, N-methyl-N-(trifluoroacetyl)-, 1-methylpropyl ester
CID 587680
Butan-2-yl 2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate
CID 592911
Butyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate
CID 592913
Butyl N-(trifluoroacetyl)-N-ethylglycinate
CID 592990

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of butan-2-yl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate (CID 592935) is butan-2-yl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for butan-2-yl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for butan-2-yl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate is CCC(C)OC(=O)CN(CC)C(=O)C(F)(F)F.
What is the InChIKey of butan-2-yl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is ZINLMJYEVQICPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-4-7(3)17-8(15)6-14(5-2)9(16)10(11,12)13/h7H,4-6H2,1-3H3.
What are the key properties of butan-2-yl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate?
butan-2-yl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 255.24 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 592935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).