2,4-difluoro-6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyridine

C13H5F8N — CID 118993536

IUPAC2,4-difluoro-6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyridine
SMILESFc1cc(C(F)(F)F)nc(F)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H5F8N/c14-8-5-9(13(19,20)21)22-11(15)10(8)6-1-3-7(4-2-6)12(16,17)18/h1-5H
InChIKeyPCPLTUJWZWFMFJ-UHFFFAOYSA-N
MW327.17 g/mol
LogP5.06
Rot. Bonds1

About 2,4-difluoro-6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyridine

2,4-difluoro-6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 118993536) has the molecular formula C13H5F8N and a molecular weight of 327.17 g/mol. Its IUPAC name is 2,4-difluoro-6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2,4-difluoro-6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID118993536
Molecular FormulaC13H5F8N
Molecular Weight327.17 g/mol
Exact Mass327.03
IUPAC Name2,4-difluoro-6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyridine
SMILESFc1cc(C(F)(F)F)nc(F)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H5F8N/c14-8-5-9(13(19,20)21)22-11(15)10(8)6-1-3-7(4-2-6)12(16,17)18/h1-5H
InChIKeyPCPLTUJWZWFMFJ-UHFFFAOYSA-N
XLogP5.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.17
LogP ≤ 55.06
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 2,4-difluoro-6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2,4-difluoro-6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyridine (CID 118993536) is 2,4-difluoro-6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2,4-difluoro-6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2,4-difluoro-6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyridine is Fc1cc(C(F)(F)F)nc(F)c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,4-difluoro-6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is PCPLTUJWZWFMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F8N/c14-8-5-9(13(19,20)21)22-11(15)10(8)6-1-3-7(4-2-6)12(16,17)18/h1-5H.
What are the key properties of 2,4-difluoro-6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyridine?
2,4-difluoro-6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 327.17 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 118993536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).