[2-(2,3,5-trifluorophenyl)phenyl]azanium

C12H9F3N+ — CID 22348855

IUPAC[2-(2,3,5-trifluorophenyl)phenyl]azanium
SMILES[NH3+]c1ccccc1-c1cc(F)cc(F)c1F
InChIInChI=1S/C12H8F3N/c13-7-5-9(12(15)10(14)6-7)8-3-1-2-4-11(8)16/h1-6H,16H2/p+1
InChIKeyIFYKSNICWXSOEK-UHFFFAOYSA-O
MW224.21 g/mol
LogP2.64
Rot. Bonds1

About [2-(2,3,5-trifluorophenyl)phenyl]azanium

[2-(2,3,5-trifluorophenyl)phenyl]azanium (PubChem CID 22348855) has the molecular formula C12H9F3N+ and a molecular weight of 224.21 g/mol. Its IUPAC name is [2-(2,3,5-trifluorophenyl)phenyl]azanium.

Molecular Properties

Compound Name[2-(2,3,5-trifluorophenyl)phenyl]azanium
PubChem CID22348855
Molecular FormulaC12H9F3N+
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name[2-(2,3,5-trifluorophenyl)phenyl]azanium
SMILES[NH3+]c1ccccc1-c1cc(F)cc(F)c1F
InChIInChI=1S/C12H8F3N/c13-7-5-9(12(15)10(14)6-7)8-3-1-2-4-11(8)16/h1-6H,16H2/p+1
InChIKeyIFYKSNICWXSOEK-UHFFFAOYSA-O
XLogP2.64
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3,5-trifluorophenyl)phenyl]azanium?
The IUPAC name of [2-(2,3,5-trifluorophenyl)phenyl]azanium (CID 22348855) is [2-(2,3,5-trifluorophenyl)phenyl]azanium.
What is the SMILES notation for [2-(2,3,5-trifluorophenyl)phenyl]azanium?
The canonical SMILES for [2-(2,3,5-trifluorophenyl)phenyl]azanium is [NH3+]c1ccccc1-c1cc(F)cc(F)c1F.
What is the InChIKey of [2-(2,3,5-trifluorophenyl)phenyl]azanium?
The InChIKey is IFYKSNICWXSOEK-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H8F3N/c13-7-5-9(12(15)10(14)6-7)8-3-1-2-4-11(8)16/h1-6H,16H2/p+1.
What are the key properties of [2-(2,3,5-trifluorophenyl)phenyl]azanium?
[2-(2,3,5-trifluorophenyl)phenyl]azanium has a molecular weight of 224.21 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,5-trifluorophenyl)phenyl]azanium is sourced from PubChem (CID 22348855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).