2-phenylethanamine;2,2,2-trifluoroacetic acid

C10H12F3NO2 — CID 86188649

IUPAC2-phenylethanamine;2,2,2-trifluoroacetic acid
SMILESNCCc1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11N.C2HF3O2/c9-7-6-8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-5H,6-7,9H2;(H,6,7)
InChIKeyRZWQYARMJGGBBG-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.82
Rot. Bonds2

About 2-phenylethanamine;2,2,2-trifluoroacetic acid

2-phenylethanamine;2,2,2-trifluoroacetic acid (PubChem CID 86188649) has the molecular formula C10H12F3NO2 and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-phenylethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-phenylethanamine;2,2,2-trifluoroacetic acid
PubChem CID86188649
Molecular FormulaC10H12F3NO2
Molecular Weight235.21 g/mol
Exact Mass235.08
IUPAC Name2-phenylethanamine;2,2,2-trifluoroacetic acid
SMILESNCCc1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11N.C2HF3O2/c9-7-6-8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-5H,6-7,9H2;(H,6,7)
InChIKeyRZWQYARMJGGBBG-UHFFFAOYSA-N
XLogP1.82
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-phenylethanamine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenylethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-phenylethanamine;2,2,2-trifluoroacetic acid (CID 86188649) is 2-phenylethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-phenylethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-phenylethanamine;2,2,2-trifluoroacetic acid is NCCc1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-phenylethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is RZWQYARMJGGBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C2HF3O2/c9-7-6-8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-5H,6-7,9H2;(H,6,7).
What are the key properties of 2-phenylethanamine;2,2,2-trifluoroacetic acid?
2-phenylethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 235.21 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86188649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).