3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid

C8H9F6NO4 — CID 103206127

IUPAC3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid
SMILESCC(NC(=O)COCC(F)(F)F)(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H9F6NO4/c1-6(5(17)18,8(12,13)14)15-4(16)2-19-3-7(9,10)11/h2-3H2,1H3,(H,15,16)(H,17,18)
InChIKeyCZATWWWILOSOBV-UHFFFAOYSA-N
MW297.15 g/mol
LogP1.09
Rot. Bonds5

About 3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid (PubChem CID 103206127) has the molecular formula C8H9F6NO4 and a molecular weight of 297.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid
PubChem CID103206127
Molecular FormulaC8H9F6NO4
Molecular Weight297.15 g/mol
Exact Mass297.04
IUPAC Name3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid
SMILESCC(NC(=O)COCC(F)(F)F)(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H9F6NO4/c1-6(5(17)18,8(12,13)14)15-4(16)2-19-3-7(9,10)11/h2-3H2,1H3,(H,15,16)(H,17,18)
InChIKeyCZATWWWILOSOBV-UHFFFAOYSA-N
XLogP1.09
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid with MolForge

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Related Compounds

2-cyclopropyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid
CID 113352873
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide;hydrochloride
CID 119606098
N-(2-amino-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807475
N-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212847
N-(3,3-dimethyl-2-oxobutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103867644
N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103820669
methyl 2-(2,2,2-trifluoroethoxy)acetate
CID 19381016
N-(5-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 114149552
2-[3-(ethylamino)butanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79799110
3,3,3-trifluoro-2-methyl-2-(2,2,3,3,3-pentafluoropropanoylamino)propanoic acid
CID 114037966
3,3,3-trifluoro-2-methyl-2-(prop-2-enoxycarbonylamino)propanoic acid
CID 79795491
3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 79788611

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid (CID 103206127) is 3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid is CC(NC(=O)COCC(F)(F)F)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid?
The InChIKey is CZATWWWILOSOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6NO4/c1-6(5(17)18,8(12,13)14)15-4(16)2-19-3-7(9,10)11/h2-3H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid has a molecular weight of 297.15 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 103206127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).