2-aminopropanoic acid;trifluoromethyl acetate

C6H10F3NO4 — CID 89263994

IUPAC2-aminopropanoic acid;trifluoromethyl acetate
SMILESCC(=O)OC(F)(F)F.CC(N)C(=O)O
InChIInChI=1S/C3H3F3O2.C3H7NO2/c1-2(7)8-3(4,5)6;1-2(4)3(5)6/h1H3;2H,4H2,1H3,(H,5,6)
InChIKeyOMDFAJVIDHXULL-UHFFFAOYSA-N
MW217.14 g/mol
LogP0.49
Rot. Bonds1

About 2-aminopropanoic acid;trifluoromethyl acetate

2-aminopropanoic acid;trifluoromethyl acetate (PubChem CID 89263994) has the molecular formula C6H10F3NO4 and a molecular weight of 217.14 g/mol. Its IUPAC name is 2-aminopropanoic acid;trifluoromethyl acetate.

Molecular Properties

Compound Name2-aminopropanoic acid;trifluoromethyl acetate
PubChem CID89263994
Molecular FormulaC6H10F3NO4
Molecular Weight217.14 g/mol
Exact Mass217.06
IUPAC Name2-aminopropanoic acid;trifluoromethyl acetate
SMILESCC(=O)OC(F)(F)F.CC(N)C(=O)O
InChIInChI=1S/C3H3F3O2.C3H7NO2/c1-2(7)8-3(4,5)6;1-2(4)3(5)6/h1H3;2H,4H2,1H3,(H,5,6)
InChIKeyOMDFAJVIDHXULL-UHFFFAOYSA-N
XLogP0.49
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-aminopropanoic acid;trifluoromethyl acetate?
The IUPAC name of 2-aminopropanoic acid;trifluoromethyl acetate (CID 89263994) is 2-aminopropanoic acid;trifluoromethyl acetate.
What is the SMILES notation for 2-aminopropanoic acid;trifluoromethyl acetate?
The canonical SMILES for 2-aminopropanoic acid;trifluoromethyl acetate is CC(=O)OC(F)(F)F.CC(N)C(=O)O.
What is the InChIKey of 2-aminopropanoic acid;trifluoromethyl acetate?
The InChIKey is OMDFAJVIDHXULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O2.C3H7NO2/c1-2(7)8-3(4,5)6;1-2(4)3(5)6/h1H3;2H,4H2,1H3,(H,5,6).
What are the key properties of 2-aminopropanoic acid;trifluoromethyl acetate?
2-aminopropanoic acid;trifluoromethyl acetate has a molecular weight of 217.14 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanoic acid;trifluoromethyl acetate is sourced from PubChem (CID 89263994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).