copper(1+);1,10-phenanthroline;trifluoromethane

C13H8CuF3N2 — CID 140913198

IUPACcopper(1+);1,10-phenanthroline;trifluoromethane
SMILESF[C-](F)F.[Cu+].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.CF3.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1(3)4;/h1-8H;;/q;-1;+1
InChIKeyHFYRAUCEONFIPJ-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.12
Rot. Bonds

About copper(1+);1,10-phenanthroline;trifluoromethane

copper(1+);1,10-phenanthroline;trifluoromethane (PubChem CID 140913198) has the molecular formula C13H8CuF3N2 and a molecular weight of 312.76 g/mol. Its IUPAC name is copper(1+);1,10-phenanthroline;trifluoromethane.

Molecular Properties

Compound Namecopper(1+);1,10-phenanthroline;trifluoromethane
PubChem CID140913198
Molecular FormulaC13H8CuF3N2
Molecular Weight312.76 g/mol
Exact Mass311.99
IUPAC Namecopper(1+);1,10-phenanthroline;trifluoromethane
SMILESF[C-](F)F.[Cu+].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.CF3.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1(3)4;/h1-8H;;/q;-1;+1
InChIKeyHFYRAUCEONFIPJ-UHFFFAOYSA-N
XLogP4.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper(1+);1,10-phenanthroline;trifluoromethane?
The IUPAC name of copper(1+);1,10-phenanthroline;trifluoromethane (CID 140913198) is copper(1+);1,10-phenanthroline;trifluoromethane.
What is the SMILES notation for copper(1+);1,10-phenanthroline;trifluoromethane?
The canonical SMILES for copper(1+);1,10-phenanthroline;trifluoromethane is F[C-](F)F.[Cu+].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of copper(1+);1,10-phenanthroline;trifluoromethane?
The InChIKey is HFYRAUCEONFIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.CF3.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1(3)4;/h1-8H;;/q;-1;+1.
What are the key properties of copper(1+);1,10-phenanthroline;trifluoromethane?
copper(1+);1,10-phenanthroline;trifluoromethane has a molecular weight of 312.76 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);1,10-phenanthroline;trifluoromethane is sourced from PubChem (CID 140913198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).