1-aminoethanol;2,2,2-trifluoroacetic acid

C4H8F3NO3 — CID 171926606

IUPAC1-aminoethanol;2,2,2-trifluoroacetic acid
SMILESCC(N)O.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H7NO/c3-2(4,5)1(6)7;1-2(3)4/h(H,6,7);2,4H,3H2,1H3
InChIKeyZKKROXMZHGRIJL-UHFFFAOYSA-N
MW175.11 g/mol
LogP-0.08
Rot. Bonds

About 1-aminoethanol;2,2,2-trifluoroacetic acid

1-aminoethanol;2,2,2-trifluoroacetic acid (PubChem CID 171926606) has the molecular formula C4H8F3NO3 and a molecular weight of 175.11 g/mol. Its IUPAC name is 1-aminoethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-aminoethanol;2,2,2-trifluoroacetic acid
PubChem CID171926606
Molecular FormulaC4H8F3NO3
Molecular Weight175.11 g/mol
Exact Mass175.05
IUPAC Name1-aminoethanol;2,2,2-trifluoroacetic acid
SMILESCC(N)O.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H7NO/c3-2(4,5)1(6)7;1-2(3)4/h(H,6,7);2,4H,3H2,1H3
InChIKeyZKKROXMZHGRIJL-UHFFFAOYSA-N
XLogP-0.08
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.11
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminoethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-aminoethanol;2,2,2-trifluoroacetic acid (CID 171926606) is 1-aminoethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-aminoethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-aminoethanol;2,2,2-trifluoroacetic acid is CC(N)O.O=C(O)C(F)(F)F.
What is the InChIKey of 1-aminoethanol;2,2,2-trifluoroacetic acid?
The InChIKey is ZKKROXMZHGRIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H7NO/c3-2(4,5)1(6)7;1-2(3)4/h(H,6,7);2,4H,3H2,1H3.
What are the key properties of 1-aminoethanol;2,2,2-trifluoroacetic acid?
1-aminoethanol;2,2,2-trifluoroacetic acid has a molecular weight of 175.11 g/mol, XLogP of -0.08, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171926606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).