ethyl 2-amino-3,3,3-trifluoropropanoate

C5H8F3NO2 — CID 10910004

IUPACethyl 2-amino-3,3,3-trifluoropropanoate
SMILESCCOC(=O)C(N)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-2-11-4(10)3(9)5(6,7)8/h3H,2,9H2,1H3
InChIKeyCLPSWBHEWJZMBS-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.44
Rot. Bonds2

About ethyl 2-amino-3,3,3-trifluoropropanoate

ethyl 2-amino-3,3,3-trifluoropropanoate (PubChem CID 10910004) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is ethyl 2-amino-3,3,3-trifluoropropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3,3,3-trifluoropropanoate
PubChem CID10910004
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Nameethyl 2-amino-3,3,3-trifluoropropanoate
SMILESCCOC(=O)C(N)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-2-11-4(10)3(9)5(6,7)8/h3H,2,9H2,1H3
InChIKeyCLPSWBHEWJZMBS-UHFFFAOYSA-N
XLogP0.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Alanine, ethyl ester, hydrochloride (1:1)
CID 102560
NoName_3047
CID 69236
L-Alanine ethyl ester
CID 76507
Methyl 3,3,3-trifluoroalaninate
CID 14825459
L-Alanine, ethyl ester, hydrochloride (1:1)
CID 2724356
(R)-Ethyl 2-amino-propionate hydrochloride
CID 10236019
Methyl 2-amino-3,3,3-trifluoropropanoate hydrochloride
CID 14825460
Ethyl 2-amino-4,4,4-trifluorobutanoate hydrochloride
CID 23635341
Methyl 2-amino-4,4,4-trifluorobutanoate hydrochloride
CID 44717559
2-Amino-3,3,3-Trifluoro-Propionic Acid Ethyl Ester Hydrochloride
CID 45790935
3,3,3-Trifluoroalanine methyl ester hydrochloride
CID 50851122
4,4,4,4',4',4'-Hexafluorovaline, ethyl ester
CID 52991940

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3,3,3-trifluoropropanoate?
The IUPAC name of ethyl 2-amino-3,3,3-trifluoropropanoate (CID 10910004) is ethyl 2-amino-3,3,3-trifluoropropanoate.
What is the SMILES notation for ethyl 2-amino-3,3,3-trifluoropropanoate?
The canonical SMILES for ethyl 2-amino-3,3,3-trifluoropropanoate is CCOC(=O)C(N)C(F)(F)F.
What is the InChIKey of ethyl 2-amino-3,3,3-trifluoropropanoate?
The InChIKey is CLPSWBHEWJZMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-2-11-4(10)3(9)5(6,7)8/h3H,2,9H2,1H3.
What are the key properties of ethyl 2-amino-3,3,3-trifluoropropanoate?
ethyl 2-amino-3,3,3-trifluoropropanoate has a molecular weight of 171.12 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3,3,3-trifluoropropanoate is sourced from PubChem (CID 10910004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).