copper(1+);2-(trifluoromethyl)-1,10-phenanthroline

C13H7CuF3N2+ — CID 175971875

IUPACcopper(1+);2-(trifluoromethyl)-1,10-phenanthroline
SMILESFC(F)(F)c1ccc2ccc3cccnc3c2n1.[Cu+]
InChIInChI=1S/C13H7F3N2.Cu/c14-13(15,16)10-6-5-9-4-3-8-2-1-7-17-11(8)12(9)18-10;/h1-7H;/q;+1
InChIKeyDLHSZGQOOXMCBC-UHFFFAOYSA-N
MW311.75 g/mol
LogP3.80
Rot. Bonds

About copper(1+);2-(trifluoromethyl)-1,10-phenanthroline

copper(1+);2-(trifluoromethyl)-1,10-phenanthroline (PubChem CID 175971875) has the molecular formula C13H7CuF3N2+ and a molecular weight of 311.75 g/mol. Its IUPAC name is copper(1+);2-(trifluoromethyl)-1,10-phenanthroline.

Molecular Properties

Compound Namecopper(1+);2-(trifluoromethyl)-1,10-phenanthroline
PubChem CID175971875
Molecular FormulaC13H7CuF3N2+
Molecular Weight311.75 g/mol
Exact Mass310.99
IUPAC Namecopper(1+);2-(trifluoromethyl)-1,10-phenanthroline
SMILESFC(F)(F)c1ccc2ccc3cccnc3c2n1.[Cu+]
InChIInChI=1S/C13H7F3N2.Cu/c14-13(15,16)10-6-5-9-4-3-8-2-1-7-17-11(8)12(9)18-10;/h1-7H;/q;+1
InChIKeyDLHSZGQOOXMCBC-UHFFFAOYSA-N
XLogP3.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze copper(1+);2-(trifluoromethyl)-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1,10-phenanthrolin-2-yl)propan-2-yl]-1,10-phenanthroline
CID 139174668
4-bromo-2-(trifluoromethyl)-1,10-phenanthroline
CID 83399919
copper(1+);1,1,1,2,2-pentafluoroethane;1,10-phenanthroline
CID 118415323
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
2-(trifluoromethyl)quinolin-8-amine
CID 129451588
2-(2-methoxy-3,3-dimethylbutan-2-yl)-1,10-phenanthroline
CID 12994070

Frequently Asked Questions

What is the IUPAC name of copper(1+);2-(trifluoromethyl)-1,10-phenanthroline?
The IUPAC name of copper(1+);2-(trifluoromethyl)-1,10-phenanthroline (CID 175971875) is copper(1+);2-(trifluoromethyl)-1,10-phenanthroline.
What is the SMILES notation for copper(1+);2-(trifluoromethyl)-1,10-phenanthroline?
The canonical SMILES for copper(1+);2-(trifluoromethyl)-1,10-phenanthroline is FC(F)(F)c1ccc2ccc3cccnc3c2n1.[Cu+].
What is the InChIKey of copper(1+);2-(trifluoromethyl)-1,10-phenanthroline?
The InChIKey is DLHSZGQOOXMCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2.Cu/c14-13(15,16)10-6-5-9-4-3-8-2-1-7-17-11(8)12(9)18-10;/h1-7H;/q;+1.
What are the key properties of copper(1+);2-(trifluoromethyl)-1,10-phenanthroline?
copper(1+);2-(trifluoromethyl)-1,10-phenanthroline has a molecular weight of 311.75 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);2-(trifluoromethyl)-1,10-phenanthroline is sourced from PubChem (CID 175971875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).