cyclopenta-1,3-dien-1-yl-dimethyl-(2,2,2-trifluoroethyl)azanium;zirconium

C9H13F3NZr+ — CID 174278720

IUPACcyclopenta-1,3-dien-1-yl-dimethyl-(2,2,2-trifluoroethyl)azanium;zirconium
SMILESC[N+](C)(CC(F)(F)F)C1=CC=CC1.[Zr]
InChIInChI=1S/C9H13F3N.Zr/c1-13(2,7-9(10,11)12)8-5-3-4-6-8;/h3-5H,6-7H2,1-2H3;/q+1;
InChIKeyZPONCNQIOKECNM-UHFFFAOYSA-N
MW283.43 g/mol
LogP2.47
Rot. Bonds2

About cyclopenta-1,3-dien-1-yl-dimethyl-(2,2,2-trifluoroethyl)azanium;zirconium

cyclopenta-1,3-dien-1-yl-dimethyl-(2,2,2-trifluoroethyl)azanium;zirconium (PubChem CID 174278720) has the molecular formula C9H13F3NZr+ and a molecular weight of 283.43 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl-dimethyl-(2,2,2-trifluoroethyl)azanium;zirconium.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl-dimethyl-(2,2,2-trifluoroethyl)azanium;zirconium
PubChem CID174278720
Molecular FormulaC9H13F3NZr+
Molecular Weight283.43 g/mol
Exact Mass282.00
IUPAC Namecyclopenta-1,3-dien-1-yl-dimethyl-(2,2,2-trifluoroethyl)azanium;zirconium
SMILESC[N+](C)(CC(F)(F)F)C1=CC=CC1.[Zr]
InChIInChI=1S/C9H13F3N.Zr/c1-13(2,7-9(10,11)12)8-5-3-4-6-8;/h3-5H,6-7H2,1-2H3;/q+1;
InChIKeyZPONCNQIOKECNM-UHFFFAOYSA-N
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze cyclopenta-1,3-dien-1-yl-dimethyl-(2,2,2-trifluoroethyl)azanium;zirconium 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 cyclopenta-1,3-dien-1-yl-dimethyl-(2,2,2-trifluoroethyl)azanium;zirconium?
The IUPAC name of cyclopenta-1,3-dien-1-yl-dimethyl-(2,2,2-trifluoroethyl)azanium;zirconium (CID 174278720) is cyclopenta-1,3-dien-1-yl-dimethyl-(2,2,2-trifluoroethyl)azanium;zirconium.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl-dimethyl-(2,2,2-trifluoroethyl)azanium;zirconium?
The canonical SMILES for cyclopenta-1,3-dien-1-yl-dimethyl-(2,2,2-trifluoroethyl)azanium;zirconium is C[N+](C)(CC(F)(F)F)C1=CC=CC1.[Zr].
What is the InChIKey of cyclopenta-1,3-dien-1-yl-dimethyl-(2,2,2-trifluoroethyl)azanium;zirconium?
The InChIKey is ZPONCNQIOKECNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N.Zr/c1-13(2,7-9(10,11)12)8-5-3-4-6-8;/h3-5H,6-7H2,1-2H3;/q+1;.
What are the key properties of cyclopenta-1,3-dien-1-yl-dimethyl-(2,2,2-trifluoroethyl)azanium;zirconium?
cyclopenta-1,3-dien-1-yl-dimethyl-(2,2,2-trifluoroethyl)azanium;zirconium has a molecular weight of 283.43 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl-dimethyl-(2,2,2-trifluoroethyl)azanium;zirconium is sourced from PubChem (CID 174278720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).