3-[(2,2,2-trifluoroacetyl)amino]propanoate

C5H5F3NO3- — CID 140799745

IUPAC3-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESO=C([O-])CCNC(=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO3/c6-5(7,8)4(12)9-2-1-3(10)11/h1-2H2,(H,9,12)(H,10,11)/p-1
InChIKeyCHQZKOJTYLNXPH-UHFFFAOYSA-M
MW184.09 g/mol
LogP-1.20
Rot. Bonds3

About 3-[(2,2,2-trifluoroacetyl)amino]propanoate

3-[(2,2,2-trifluoroacetyl)amino]propanoate (PubChem CID 140799745) has the molecular formula C5H5F3NO3- and a molecular weight of 184.09 g/mol. Its IUPAC name is 3-[(2,2,2-trifluoroacetyl)amino]propanoate.

Molecular Properties

Compound Name3-[(2,2,2-trifluoroacetyl)amino]propanoate
PubChem CID140799745
Molecular FormulaC5H5F3NO3-
Molecular Weight184.09 g/mol
Exact Mass184.02
IUPAC Name3-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESO=C([O-])CCNC(=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO3/c6-5(7,8)4(12)9-2-1-3(10)11/h1-2H2,(H,9,12)(H,10,11)/p-1
InChIKeyCHQZKOJTYLNXPH-UHFFFAOYSA-M
XLogP-1.20
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.09
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 62647345
2-[(2,2,2-trifluoroacetyl)amino]ethylazanium
CID 36688932
2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
CID 108537712
methyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734856
N-ethyl-2,2,2-trifluoroacetamide
CID 581108
2,2,2-trifluoro-N-(iodomethyl)acetamide
CID 87708484
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
butan-2-yl 3-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 544422
2,2,2-trifluoro-N-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide
CID 123568887
cesium 3,3,3-trifluoropropanoate
CID 171782209
2,2,2-trifluoro-N-(3-formamidopropyl)acetamide
CID 110461270

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,2-trifluoroacetyl)amino]propanoate?
The IUPAC name of 3-[(2,2,2-trifluoroacetyl)amino]propanoate (CID 140799745) is 3-[(2,2,2-trifluoroacetyl)amino]propanoate.
What is the SMILES notation for 3-[(2,2,2-trifluoroacetyl)amino]propanoate?
The canonical SMILES for 3-[(2,2,2-trifluoroacetyl)amino]propanoate is O=C([O-])CCNC(=O)C(F)(F)F.
What is the InChIKey of 3-[(2,2,2-trifluoroacetyl)amino]propanoate?
The InChIKey is CHQZKOJTYLNXPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6F3NO3/c6-5(7,8)4(12)9-2-1-3(10)11/h1-2H2,(H,9,12)(H,10,11)/p-1.
What are the key properties of 3-[(2,2,2-trifluoroacetyl)amino]propanoate?
3-[(2,2,2-trifluoroacetyl)amino]propanoate has a molecular weight of 184.09 g/mol, XLogP of -1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,2-trifluoroacetyl)amino]propanoate is sourced from PubChem (CID 140799745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).