2,3,4-trifluoro-6-(trifluoromethyl)pyridine

C6HF6N — CID 46317997

IUPAC2,3,4-trifluoro-6-(trifluoromethyl)pyridine
SMILESFc1cc(C(F)(F)F)nc(F)c1F
InChIInChI=1S/C6HF6N/c7-2-1-3(6(10,11)12)13-5(9)4(2)8/h1H
InChIKeyVSROAQVURXOMIA-UHFFFAOYSA-N
MW201.07 g/mol
LogP2.52
Rot. Bonds

About 2,3,4-trifluoro-6-(trifluoromethyl)pyridine

2,3,4-trifluoro-6-(trifluoromethyl)pyridine (PubChem CID 46317997) has the molecular formula C6HF6N and a molecular weight of 201.07 g/mol. Its IUPAC name is 2,3,4-trifluoro-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,3,4-trifluoro-6-(trifluoromethyl)pyridine
PubChem CID46317997
Molecular FormulaC6HF6N
Molecular Weight201.07 g/mol
Exact Mass201.00
IUPAC Name2,3,4-trifluoro-6-(trifluoromethyl)pyridine
SMILESFc1cc(C(F)(F)F)nc(F)c1F
InChIInChI=1S/C6HF6N/c7-2-1-3(6(10,11)12)13-5(9)4(2)8/h1H
InChIKeyVSROAQVURXOMIA-UHFFFAOYSA-N
XLogP2.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-6-(trifluoromethyl)pyridine?
The IUPAC name of 2,3,4-trifluoro-6-(trifluoromethyl)pyridine (CID 46317997) is 2,3,4-trifluoro-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,3,4-trifluoro-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2,3,4-trifluoro-6-(trifluoromethyl)pyridine is Fc1cc(C(F)(F)F)nc(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-6-(trifluoromethyl)pyridine?
The InChIKey is VSROAQVURXOMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF6N/c7-2-1-3(6(10,11)12)13-5(9)4(2)8/h1H.
What are the key properties of 2,3,4-trifluoro-6-(trifluoromethyl)pyridine?
2,3,4-trifluoro-6-(trifluoromethyl)pyridine has a molecular weight of 201.07 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 46317997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).