ethyl 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate

C9H15F3N2O3 — CID 54948797

IUPACethyl 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CC)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-3-14(6-9(10,11)12)8(16)13-5-7(15)17-4-2/h3-6H2,1-2H3,(H,13,16)
InChIKeyYXQBPZLLIXLESS-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.14
Rot. Bonds5

About ethyl 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate

ethyl 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate (PubChem CID 54948797) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is ethyl 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
PubChem CID54948797
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Nameethyl 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CC)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-3-14(6-9(10,11)12)8(16)13-5-7(15)17-4-2/h3-6H2,1-2H3,(H,13,16)
InChIKeyYXQBPZLLIXLESS-UHFFFAOYSA-N
XLogP1.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate (CID 54948797) is ethyl 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(CC)CC(F)(F)F.
What is the InChIKey of ethyl 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate?
The InChIKey is YXQBPZLLIXLESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-3-14(6-9(10,11)12)8(16)13-5-7(15)17-4-2/h3-6H2,1-2H3,(H,13,16).
What are the key properties of ethyl 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate?
ethyl 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate has a molecular weight of 256.22 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate is sourced from PubChem (CID 54948797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).