[1-amino-3-[(2,2,2-trifluoroacetyl)amino]propan-2-yl] 2,2,2-trifluoroacetate

C7H8F6N2O3 — CID 54264728

IUPAC[1-amino-3-[(2,2,2-trifluoroacetyl)amino]propan-2-yl] 2,2,2-trifluoroacetate
SMILESNCC(CNC(=O)C(F)(F)F)OC(=O)C(F)(F)F
InChIInChI=1S/C7H8F6N2O3/c8-6(9,10)4(16)15-2-3(1-14)18-5(17)7(11,12)13/h3H,1-2,14H2,(H,15,16)
InChIKeyRFYMKGIWKKDSDY-UHFFFAOYSA-N
MW282.14 g/mol
LogP0.10
Rot. Bonds4

About [1-amino-3-[(2,2,2-trifluoroacetyl)amino]propan-2-yl] 2,2,2-trifluoroacetate

[1-amino-3-[(2,2,2-trifluoroacetyl)amino]propan-2-yl] 2,2,2-trifluoroacetate (PubChem CID 54264728) has the molecular formula C7H8F6N2O3 and a molecular weight of 282.14 g/mol. Its IUPAC name is [1-amino-3-[(2,2,2-trifluoroacetyl)amino]propan-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[1-amino-3-[(2,2,2-trifluoroacetyl)amino]propan-2-yl] 2,2,2-trifluoroacetate
PubChem CID54264728
Molecular FormulaC7H8F6N2O3
Molecular Weight282.14 g/mol
Exact Mass282.04
IUPAC Name[1-amino-3-[(2,2,2-trifluoroacetyl)amino]propan-2-yl] 2,2,2-trifluoroacetate
SMILESNCC(CNC(=O)C(F)(F)F)OC(=O)C(F)(F)F
InChIInChI=1S/C7H8F6N2O3/c8-6(9,10)4(16)15-2-3(1-14)18-5(17)7(11,12)13/h3H,1-2,14H2,(H,15,16)
InChIKeyRFYMKGIWKKDSDY-UHFFFAOYSA-N
XLogP0.10
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-amino-3-[(2,2,2-trifluoroacetyl)amino]propan-2-yl] 2,2,2-trifluoroacetate with MolForge

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Related Compounds

Isopropyl [(trifluoroacetyl)amino]acetate
CID 529794
Ethanolamine, N,O-bis(trifluoroacetyl)-
CID 14151412
Glycine, N-pentafluoropropanoyl-, isopropyl ester
CID 540148
Propanoic acid, 2,2,3,3,3-pentafluoro-, 2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]ethyl ester
CID 12589532
2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide
CID 11550261
2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride
CID 14839574
1-(2,2,3,3,3-Pentafluoropropanoylamino)propan-2-yl 2,2,3,3,3-pentafluoropropanoate
CID 21615321
N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid
CID 23170381
[1-Oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] acetate
CID 57139505
2,2-difluoro-N-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994599
2,2-difluoro-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 72616989
N-(2-ethoxypropyl)-2,2-difluoroacetamide
CID 103516048

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-[(2,2,2-trifluoroacetyl)amino]propan-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [1-amino-3-[(2,2,2-trifluoroacetyl)amino]propan-2-yl] 2,2,2-trifluoroacetate (CID 54264728) is [1-amino-3-[(2,2,2-trifluoroacetyl)amino]propan-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [1-amino-3-[(2,2,2-trifluoroacetyl)amino]propan-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [1-amino-3-[(2,2,2-trifluoroacetyl)amino]propan-2-yl] 2,2,2-trifluoroacetate is NCC(CNC(=O)C(F)(F)F)OC(=O)C(F)(F)F.
What is the InChIKey of [1-amino-3-[(2,2,2-trifluoroacetyl)amino]propan-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is RFYMKGIWKKDSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6N2O3/c8-6(9,10)4(16)15-2-3(1-14)18-5(17)7(11,12)13/h3H,1-2,14H2,(H,15,16).
What are the key properties of [1-amino-3-[(2,2,2-trifluoroacetyl)amino]propan-2-yl] 2,2,2-trifluoroacetate?
[1-amino-3-[(2,2,2-trifluoroacetyl)amino]propan-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 282.14 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-[(2,2,2-trifluoroacetyl)amino]propan-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 54264728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).