phenylazanium;2,2,2-trifluoroacetate

C8H8F3NO2 — CID 11333230

IUPACphenylazanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]c1ccccc1
InChIInChI=1S/C6H7N.C2HF3O2/c7-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h1-5H,7H2;(H,6,7)
InChIKeyKLWPBYLRAPLEJH-UHFFFAOYSA-N
MW207.15 g/mol
LogP-0.14
Rot. Bonds

About phenylazanium;2,2,2-trifluoroacetate

phenylazanium;2,2,2-trifluoroacetate (PubChem CID 11333230) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is phenylazanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namephenylazanium;2,2,2-trifluoroacetate
PubChem CID11333230
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Namephenylazanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]c1ccccc1
InChIInChI=1S/C6H7N.C2HF3O2/c7-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h1-5H,7H2;(H,6,7)
InChIKeyKLWPBYLRAPLEJH-UHFFFAOYSA-N
XLogP-0.14
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenylazanium;2,2,2-trifluoroacetate?
The IUPAC name of phenylazanium;2,2,2-trifluoroacetate (CID 11333230) is phenylazanium;2,2,2-trifluoroacetate.
What is the SMILES notation for phenylazanium;2,2,2-trifluoroacetate?
The canonical SMILES for phenylazanium;2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.[NH3+]c1ccccc1.
What is the InChIKey of phenylazanium;2,2,2-trifluoroacetate?
The InChIKey is KLWPBYLRAPLEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C2HF3O2/c7-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h1-5H,7H2;(H,6,7).
What are the key properties of phenylazanium;2,2,2-trifluoroacetate?
phenylazanium;2,2,2-trifluoroacetate has a molecular weight of 207.15 g/mol, XLogP of -0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylazanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 11333230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).