prop-2-yn-1-amine;2,2,2-trifluoroacetic acid

C5H6F3NO2 — CID 172715928

IUPACprop-2-yn-1-amine;2,2,2-trifluoroacetic acid
SMILESC#CCN.O=C(O)C(F)(F)F
InChIInChI=1S/C3H5N.C2HF3O2/c1-2-3-4;3-2(4,5)1(6)7/h1H,3-4H2;(H,6,7)
InChIKeyFWBVNXFTMPYXAD-UHFFFAOYSA-N
MW169.10 g/mol
LogP0.21
Rot. Bonds

About prop-2-yn-1-amine;2,2,2-trifluoroacetic acid

prop-2-yn-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 172715928) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is prop-2-yn-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameprop-2-yn-1-amine;2,2,2-trifluoroacetic acid
PubChem CID172715928
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Nameprop-2-yn-1-amine;2,2,2-trifluoroacetic acid
SMILESC#CCN.O=C(O)C(F)(F)F
InChIInChI=1S/C3H5N.C2HF3O2/c1-2-3-4;3-2(4,5)1(6)7/h1H,3-4H2;(H,6,7)
InChIKeyFWBVNXFTMPYXAD-UHFFFAOYSA-N
XLogP0.21
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-yn-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of prop-2-yn-1-amine;2,2,2-trifluoroacetic acid (CID 172715928) is prop-2-yn-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for prop-2-yn-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for prop-2-yn-1-amine;2,2,2-trifluoroacetic acid is C#CCN.O=C(O)C(F)(F)F.
What is the InChIKey of prop-2-yn-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is FWBVNXFTMPYXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N.C2HF3O2/c1-2-3-4;3-2(4,5)1(6)7/h1H,3-4H2;(H,6,7).
What are the key properties of prop-2-yn-1-amine;2,2,2-trifluoroacetic acid?
prop-2-yn-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 169.10 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-yn-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172715928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).