trifluoromethyl (2S)-2-aminopropanoate

C4H6F3NO2 — CID 54564120

IUPACtrifluoromethyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OC(F)(F)F
InChIInChI=1S/C4H6F3NO2/c1-2(8)3(9)10-4(5,6)7/h2H,8H2,1H3/t2-/m0/s1
InChIKeyZSQAUONIVYLERK-REOHCLBHSA-N
MW157.09 g/mol
LogP0.40
Rot. Bonds1

About trifluoromethyl (2S)-2-aminopropanoate

trifluoromethyl (2S)-2-aminopropanoate (PubChem CID 54564120) has the molecular formula C4H6F3NO2 and a molecular weight of 157.09 g/mol. Its IUPAC name is trifluoromethyl (2S)-2-aminopropanoate.

Molecular Properties

Compound Nametrifluoromethyl (2S)-2-aminopropanoate
PubChem CID54564120
Molecular FormulaC4H6F3NO2
Molecular Weight157.09 g/mol
Exact Mass157.04
IUPAC Nametrifluoromethyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OC(F)(F)F
InChIInChI=1S/C4H6F3NO2/c1-2(8)3(9)10-4(5,6)7/h2H,8H2,1H3/t2-/m0/s1
InChIKeyZSQAUONIVYLERK-REOHCLBHSA-N
XLogP0.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl (2S)-2-aminopropanoate?
The IUPAC name of trifluoromethyl (2S)-2-aminopropanoate (CID 54564120) is trifluoromethyl (2S)-2-aminopropanoate.
What is the SMILES notation for trifluoromethyl (2S)-2-aminopropanoate?
The canonical SMILES for trifluoromethyl (2S)-2-aminopropanoate is C[C@H](N)C(=O)OC(F)(F)F.
What is the InChIKey of trifluoromethyl (2S)-2-aminopropanoate?
The InChIKey is ZSQAUONIVYLERK-REOHCLBHSA-N. The full InChI is InChI=1S/C4H6F3NO2/c1-2(8)3(9)10-4(5,6)7/h2H,8H2,1H3/t2-/m0/s1.
What are the key properties of trifluoromethyl (2S)-2-aminopropanoate?
trifluoromethyl (2S)-2-aminopropanoate has a molecular weight of 157.09 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl (2S)-2-aminopropanoate is sourced from PubChem (CID 54564120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).