azane;ethanol;2,2,2-trifluoroacetic acid

C4H10F3NO3 — CID 162541701

IUPACazane;ethanol;2,2,2-trifluoroacetic acid
SMILESCCO.N.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H6O.H3N/c3-2(4,5)1(6)7;1-2-3;/h(H,6,7);3H,2H2,1H3;1H3
InChIKeyUVHHMCQSDZMGPY-UHFFFAOYSA-N
MW177.12 g/mol
LogP0.79
Rot. Bonds

About azane;ethanol;2,2,2-trifluoroacetic acid

azane;ethanol;2,2,2-trifluoroacetic acid (PubChem CID 162541701) has the molecular formula C4H10F3NO3 and a molecular weight of 177.12 g/mol. Its IUPAC name is azane;ethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameazane;ethanol;2,2,2-trifluoroacetic acid
PubChem CID162541701
Molecular FormulaC4H10F3NO3
Molecular Weight177.12 g/mol
Exact Mass177.06
IUPAC Nameazane;ethanol;2,2,2-trifluoroacetic acid
SMILESCCO.N.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H6O.H3N/c3-2(4,5)1(6)7;1-2-3;/h(H,6,7);3H,2H2,1H3;1H3
InChIKeyUVHHMCQSDZMGPY-UHFFFAOYSA-N
XLogP0.79
TPSA92.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;ethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of azane;ethanol;2,2,2-trifluoroacetic acid (CID 162541701) is azane;ethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for azane;ethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for azane;ethanol;2,2,2-trifluoroacetic acid is CCO.N.O=C(O)C(F)(F)F.
What is the InChIKey of azane;ethanol;2,2,2-trifluoroacetic acid?
The InChIKey is UVHHMCQSDZMGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H6O.H3N/c3-2(4,5)1(6)7;1-2-3;/h(H,6,7);3H,2H2,1H3;1H3.
What are the key properties of azane;ethanol;2,2,2-trifluoroacetic acid?
azane;ethanol;2,2,2-trifluoroacetic acid has a molecular weight of 177.12 g/mol, XLogP of 0.79, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162541701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).