2-phenylethylazanium;2,2,2-trifluoroacetate

C10H12F3NO2 — CID 10911507

IUPAC2-phenylethylazanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]CCc1ccccc1
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
LogP-0.23
Rot. Bonds2

About 2-phenylethylazanium;2,2,2-trifluoroacetate

2-phenylethylazanium;2,2,2-trifluoroacetate (PubChem CID 10911507) has the molecular formula C10H12F3NO2 and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-phenylethylazanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-phenylethylazanium;2,2,2-trifluoroacetate
PubChem CID10911507
Molecular FormulaC10H12F3NO2
Molecular Weight235.21 g/mol
Exact Mass235.08
IUPAC Name2-phenylethylazanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]CCc1ccccc1
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
XLogP-0.23
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylethylazanium;2,2,2-trifluoroacetate?
The IUPAC name of 2-phenylethylazanium;2,2,2-trifluoroacetate (CID 10911507) is 2-phenylethylazanium;2,2,2-trifluoroacetate.
What is the SMILES notation for 2-phenylethylazanium;2,2,2-trifluoroacetate?
The canonical SMILES for 2-phenylethylazanium;2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.[NH3+]CCc1ccccc1.
What is the InChIKey of 2-phenylethylazanium;2,2,2-trifluoroacetate?
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-phenylethylazanium;2,2,2-trifluoroacetate?
2-phenylethylazanium;2,2,2-trifluoroacetate has a molecular weight of 235.21 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethylazanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 10911507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).