ethyl 4,4,4-trifluoro-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate

C12H20F3NO4 — CID 166516966

IUPACethyl 4,4,4-trifluoro-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
SMILESCCOC(=O)CC(NCC(=O)OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C12H20F3NO4/c1-5-19-9(17)6-8(12(13,14)15)16-7-10(18)20-11(2,3)4/h8,16H,5-7H2,1-4H3
InChIKeyNDDUQTWHCBGKRM-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.80
Rot. Bonds6

About ethyl 4,4,4-trifluoro-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate

ethyl 4,4,4-trifluoro-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate (PubChem CID 166516966) has the molecular formula C12H20F3NO4 and a molecular weight of 299.29 g/mol. Its IUPAC name is ethyl 4,4,4-trifluoro-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4,4,4-trifluoro-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
PubChem CID166516966
Molecular FormulaC12H20F3NO4
Molecular Weight299.29 g/mol
Exact Mass299.13
IUPAC Nameethyl 4,4,4-trifluoro-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
SMILESCCOC(=O)CC(NCC(=O)OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C12H20F3NO4/c1-5-19-9(17)6-8(12(13,14)15)16-7-10(18)20-11(2,3)4/h8,16H,5-7H2,1-4H3
InChIKeyNDDUQTWHCBGKRM-UHFFFAOYSA-N
XLogP1.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,4,4-trifluoro-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate?
The IUPAC name of ethyl 4,4,4-trifluoro-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate (CID 166516966) is ethyl 4,4,4-trifluoro-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate.
What is the SMILES notation for ethyl 4,4,4-trifluoro-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate?
The canonical SMILES for ethyl 4,4,4-trifluoro-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate is CCOC(=O)CC(NCC(=O)OC(C)(C)C)C(F)(F)F.
What is the InChIKey of ethyl 4,4,4-trifluoro-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate?
The InChIKey is NDDUQTWHCBGKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO4/c1-5-19-9(17)6-8(12(13,14)15)16-7-10(18)20-11(2,3)4/h8,16H,5-7H2,1-4H3.
What are the key properties of ethyl 4,4,4-trifluoro-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate?
ethyl 4,4,4-trifluoro-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate has a molecular weight of 299.29 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4,4-trifluoro-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate is sourced from PubChem (CID 166516966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).