1-(trifluoromethyl)-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine

C12H8F6N2 — CID 118952339

IUPAC1-(trifluoromethyl)-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine
SMILESFC(F)(F)N1C=CC(=C2C=CN(C(F)(F)F)C=C2)C=C1
InChIInChI=1S/C12H8F6N2/c13-11(14,15)19-5-1-9(2-6-19)10-3-7-20(8-4-10)12(16,17)18/h1-8H
InChIKeyLUEVJTLMGLPUSP-UHFFFAOYSA-N
MW294.20 g/mol
LogP4.01
Rot. Bonds

About 1-(trifluoromethyl)-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine

1-(trifluoromethyl)-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine (PubChem CID 118952339) has the molecular formula C12H8F6N2 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-(trifluoromethyl)-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine.

Molecular Properties

Compound Name1-(trifluoromethyl)-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine
PubChem CID118952339
Molecular FormulaC12H8F6N2
Molecular Weight294.20 g/mol
Exact Mass294.06
IUPAC Name1-(trifluoromethyl)-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine
SMILESFC(F)(F)N1C=CC(=C2C=CN(C(F)(F)F)C=C2)C=C1
InChIInChI=1S/C12H8F6N2/c13-11(14,15)19-5-1-9(2-6-19)10-3-7-20(8-4-10)12(16,17)18/h1-8H
InChIKeyLUEVJTLMGLPUSP-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine?
The IUPAC name of 1-(trifluoromethyl)-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine (CID 118952339) is 1-(trifluoromethyl)-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine.
What is the SMILES notation for 1-(trifluoromethyl)-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine?
The canonical SMILES for 1-(trifluoromethyl)-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine is FC(F)(F)N1C=CC(=C2C=CN(C(F)(F)F)C=C2)C=C1.
What is the InChIKey of 1-(trifluoromethyl)-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine?
The InChIKey is LUEVJTLMGLPUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6N2/c13-11(14,15)19-5-1-9(2-6-19)10-3-7-20(8-4-10)12(16,17)18/h1-8H.
What are the key properties of 1-(trifluoromethyl)-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine?
1-(trifluoromethyl)-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine has a molecular weight of 294.20 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine is sourced from PubChem (CID 118952339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).