[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium

C13H11F3NO+ — CID 147037666

IUPAC[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium
SMILES[NH3+]c1ccccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H10F3NO/c14-13(15,16)18-12-8-4-2-6-10(12)9-5-1-3-7-11(9)17/h1-8H,17H2/p+1
InChIKeyAYVFXUXDUIPECW-UHFFFAOYSA-O
MW254.23 g/mol
LogP3.13
Rot. Bonds2

About [2-[2-(trifluoromethoxy)phenyl]phenyl]azanium

[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium (PubChem CID 147037666) has the molecular formula C13H11F3NO+ and a molecular weight of 254.23 g/mol. Its IUPAC name is [2-[2-(trifluoromethoxy)phenyl]phenyl]azanium.

Molecular Properties

Compound Name[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium
PubChem CID147037666
Molecular FormulaC13H11F3NO+
Molecular Weight254.23 g/mol
Exact Mass254.08
IUPAC Name[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium
SMILES[NH3+]c1ccccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H10F3NO/c14-13(15,16)18-12-8-4-2-6-10(12)9-5-1-3-7-11(9)17/h1-8H,17H2/p+1
InChIKeyAYVFXUXDUIPECW-UHFFFAOYSA-O
XLogP3.13
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [2-[2-(trifluoromethoxy)phenyl]phenyl]azanium 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-[2-(trifluoromethoxy)phenyl]phenyl]azanium?
The IUPAC name of [2-[2-(trifluoromethoxy)phenyl]phenyl]azanium (CID 147037666) is [2-[2-(trifluoromethoxy)phenyl]phenyl]azanium.
What is the SMILES notation for [2-[2-(trifluoromethoxy)phenyl]phenyl]azanium?
The canonical SMILES for [2-[2-(trifluoromethoxy)phenyl]phenyl]azanium is [NH3+]c1ccccc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of [2-[2-(trifluoromethoxy)phenyl]phenyl]azanium?
The InChIKey is AYVFXUXDUIPECW-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H10F3NO/c14-13(15,16)18-12-8-4-2-6-10(12)9-5-1-3-7-11(9)17/h1-8H,17H2/p+1.
What are the key properties of [2-[2-(trifluoromethoxy)phenyl]phenyl]azanium?
[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium has a molecular weight of 254.23 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(trifluoromethoxy)phenyl]phenyl]azanium is sourced from PubChem (CID 147037666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).