2-aminoethyl acetate;2,2,2-trifluoroacetic acid

C6H10F3NO4 — CID 87308533

IUPAC2-aminoethyl acetate;2,2,2-trifluoroacetic acid
SMILESCC(=O)OCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9NO2.C2HF3O2/c1-4(6)7-3-2-5;3-2(4,5)1(6)7/h2-3,5H2,1H3;(H,6,7)
InChIKeyOOKOFYNRSHABCG-UHFFFAOYSA-N
MW217.14 g/mol
LogP0.14
Rot. Bonds2

About 2-aminoethyl acetate;2,2,2-trifluoroacetic acid

2-aminoethyl acetate;2,2,2-trifluoroacetic acid (PubChem CID 87308533) has the molecular formula C6H10F3NO4 and a molecular weight of 217.14 g/mol. Its IUPAC name is 2-aminoethyl acetate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-aminoethyl acetate;2,2,2-trifluoroacetic acid
PubChem CID87308533
Molecular FormulaC6H10F3NO4
Molecular Weight217.14 g/mol
Exact Mass217.06
IUPAC Name2-aminoethyl acetate;2,2,2-trifluoroacetic acid
SMILESCC(=O)OCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9NO2.C2HF3O2/c1-4(6)7-3-2-5;3-2(4,5)1(6)7/h2-3,5H2,1H3;(H,6,7)
InChIKeyOOKOFYNRSHABCG-UHFFFAOYSA-N
XLogP0.14
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl acetate;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-aminoethyl acetate;2,2,2-trifluoroacetic acid (CID 87308533) is 2-aminoethyl acetate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-aminoethyl acetate;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-aminoethyl acetate;2,2,2-trifluoroacetic acid is CC(=O)OCCN.O=C(O)C(F)(F)F.
What is the InChIKey of 2-aminoethyl acetate;2,2,2-trifluoroacetic acid?
The InChIKey is OOKOFYNRSHABCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C2HF3O2/c1-4(6)7-3-2-5;3-2(4,5)1(6)7/h2-3,5H2,1H3;(H,6,7).
What are the key properties of 2-aminoethyl acetate;2,2,2-trifluoroacetic acid?
2-aminoethyl acetate;2,2,2-trifluoroacetic acid has a molecular weight of 217.14 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl acetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87308533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).