2,2,2-trifluoroethyl 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetate

C10H10F6N2O6 — CID 88924126

IUPAC2,2,2-trifluoroethyl 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetate
SMILESO=C(NCCNC(=O)C(=O)OCC(F)(F)F)C(=O)OCC(F)(F)F
InChIInChI=1S/C10H10F6N2O6/c11-9(12,13)3-23-7(21)5(19)17-1-2-18-6(20)8(22)24-4-10(14,15)16/h1-4H2,(H,17,19)(H,18,20)
InChIKeyHPXIKCGEPMAPCB-UHFFFAOYSA-N
MW368.19 g/mol
LogP-0.57
Rot. Bonds5

About 2,2,2-trifluoroethyl 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetate

2,2,2-trifluoroethyl 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetate (PubChem CID 88924126) has the molecular formula C10H10F6N2O6 and a molecular weight of 368.19 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetate
PubChem CID88924126
Molecular FormulaC10H10F6N2O6
Molecular Weight368.19 g/mol
Exact Mass368.04
IUPAC Name2,2,2-trifluoroethyl 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetate
SMILESO=C(NCCNC(=O)C(=O)OCC(F)(F)F)C(=O)OCC(F)(F)F
InChIInChI=1S/C10H10F6N2O6/c11-9(12,13)3-23-7(21)5(19)17-1-2-18-6(20)8(22)24-4-10(14,15)16/h1-4H2,(H,17,19)(H,18,20)
InChIKeyHPXIKCGEPMAPCB-UHFFFAOYSA-N
XLogP-0.57
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoroethyl 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetate with MolForge

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Related Compounds

2,2,2-trifluoroethyl 2-chloro-2-oxoacetate
CID 18939209
2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate
CID 103918683
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
2,2,2-trifluoroethyl N-(4-methylpentyl)carbamate
CID 23060469
2,2,2-trifluoroethyl 3-deuterio-2-fluoroprop-2-enoate
CID 88506207
2,2,2-trifluoroethyl N-methoxycarbamate
CID 65168313
2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate
CID 60705940
N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide
CID 115514932
ethyl 2-[12-[(2-ethoxy-2-oxoacetyl)amino]dodecylamino]-2-oxoacetate
CID 102308082
bis(2,2,2-trifluoroethyl) (Z)-but-2-enedioate
CID 5462778
methyl 2-[4-[(2-methoxy-2-oxoacetyl)amino]butylamino]-2-oxoacetate
CID 118608572
bis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 24867806

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetate?
The IUPAC name of 2,2,2-trifluoroethyl 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetate (CID 88924126) is 2,2,2-trifluoroethyl 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetate is O=C(NCCNC(=O)C(=O)OCC(F)(F)F)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetate?
The InChIKey is HPXIKCGEPMAPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6N2O6/c11-9(12,13)3-23-7(21)5(19)17-1-2-18-6(20)8(22)24-4-10(14,15)16/h1-4H2,(H,17,19)(H,18,20).
What are the key properties of 2,2,2-trifluoroethyl 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetate?
2,2,2-trifluoroethyl 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetate has a molecular weight of 368.19 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetate is sourced from PubChem (CID 88924126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).