ethanamine;2,2,2-trifluoroacetic acid

C4H8F3NO2 — CID 86017709

IUPACethanamine;2,2,2-trifluoroacetic acid
SMILESCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H7N/c3-2(4,5)1(6)7;1-2-3/h(H,6,7);2-3H2,1H3
InChIKeyUGRVUSWSAGRCSJ-UHFFFAOYSA-N
MW159.11 g/mol
LogP0.60
Rot. Bonds

About ethanamine;2,2,2-trifluoroacetic acid

ethanamine;2,2,2-trifluoroacetic acid (PubChem CID 86017709) has the molecular formula C4H8F3NO2 and a molecular weight of 159.11 g/mol. Its IUPAC name is ethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameethanamine;2,2,2-trifluoroacetic acid
PubChem CID86017709
Molecular FormulaC4H8F3NO2
Molecular Weight159.11 g/mol
Exact Mass159.05
IUPAC Nameethanamine;2,2,2-trifluoroacetic acid
SMILESCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H7N/c3-2(4,5)1(6)7;1-2-3/h(H,6,7);2-3H2,1H3
InChIKeyUGRVUSWSAGRCSJ-UHFFFAOYSA-N
XLogP0.60
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.11
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of ethanamine;2,2,2-trifluoroacetic acid (CID 86017709) is ethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for ethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for ethanamine;2,2,2-trifluoroacetic acid is CCN.O=C(O)C(F)(F)F.
What is the InChIKey of ethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is UGRVUSWSAGRCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H7N/c3-2(4,5)1(6)7;1-2-3/h(H,6,7);2-3H2,1H3.
What are the key properties of ethanamine;2,2,2-trifluoroacetic acid?
ethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 159.11 g/mol, XLogP of 0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86017709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).