ethyl 2-[formyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate

C8H11F3N2O4 — CID 87940906

IUPACethyl 2-[formyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
SMILESCCOC(=O)CN(C=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H11F3N2O4/c1-2-17-6(15)3-13(5-14)7(16)12-4-8(9,10)11/h5H,2-4H2,1H3,(H,12,16)
InChIKeySWTCQHXESTYUKD-UHFFFAOYSA-N
MW256.18 g/mol
LogP0.28
Rot. Bonds5

About ethyl 2-[formyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate

ethyl 2-[formyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate (PubChem CID 87940906) has the molecular formula C8H11F3N2O4 and a molecular weight of 256.18 g/mol. Its IUPAC name is ethyl 2-[formyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[formyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
PubChem CID87940906
Molecular FormulaC8H11F3N2O4
Molecular Weight256.18 g/mol
Exact Mass256.07
IUPAC Nameethyl 2-[formyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
SMILESCCOC(=O)CN(C=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H11F3N2O4/c1-2-17-6(15)3-13(5-14)7(16)12-4-8(9,10)11/h5H,2-4H2,1H3,(H,12,16)
InChIKeySWTCQHXESTYUKD-UHFFFAOYSA-N
XLogP0.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[formyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate?
The IUPAC name of ethyl 2-[formyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate (CID 87940906) is ethyl 2-[formyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[formyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate?
The canonical SMILES for ethyl 2-[formyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate is CCOC(=O)CN(C=O)C(=O)NCC(F)(F)F.
What is the InChIKey of ethyl 2-[formyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate?
The InChIKey is SWTCQHXESTYUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O4/c1-2-17-6(15)3-13(5-14)7(16)12-4-8(9,10)11/h5H,2-4H2,1H3,(H,12,16).
What are the key properties of ethyl 2-[formyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate?
ethyl 2-[formyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate has a molecular weight of 256.18 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[formyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate is sourced from PubChem (CID 87940906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).