2,4,6-trifluoro-3,5-bis(trifluoromethyl)pyridine

C7F9N — CID 23235886

IUPAC2,4,6-trifluoro-3,5-bis(trifluoromethyl)pyridine
SMILESFc1nc(F)c(C(F)(F)F)c(F)c1C(F)(F)F
InChIInChI=1S/C7F9N/c8-3-1(6(11,12)13)4(9)17-5(10)2(3)7(14,15)16
InChIKeyRJMHTDSIXUPOIO-UHFFFAOYSA-N
MW269.07 g/mol
LogP3.54
Rot. Bonds

About 2,4,6-trifluoro-3,5-bis(trifluoromethyl)pyridine

2,4,6-trifluoro-3,5-bis(trifluoromethyl)pyridine (PubChem CID 23235886) has the molecular formula C7F9N and a molecular weight of 269.07 g/mol. Its IUPAC name is 2,4,6-trifluoro-3,5-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,4,6-trifluoro-3,5-bis(trifluoromethyl)pyridine
PubChem CID23235886
Molecular FormulaC7F9N
Molecular Weight269.07 g/mol
Exact Mass268.99
IUPAC Name2,4,6-trifluoro-3,5-bis(trifluoromethyl)pyridine
SMILESFc1nc(F)c(C(F)(F)F)c(F)c1C(F)(F)F
InChIInChI=1S/C7F9N/c8-3-1(6(11,12)13)4(9)17-5(10)2(3)7(14,15)16
InChIKeyRJMHTDSIXUPOIO-UHFFFAOYSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.07
LogP ≤ 53.54
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 2,4,6-trifluoro-3,5-bis(trifluoromethyl)pyridine?
The IUPAC name of 2,4,6-trifluoro-3,5-bis(trifluoromethyl)pyridine (CID 23235886) is 2,4,6-trifluoro-3,5-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 2,4,6-trifluoro-3,5-bis(trifluoromethyl)pyridine?
The canonical SMILES for 2,4,6-trifluoro-3,5-bis(trifluoromethyl)pyridine is Fc1nc(F)c(C(F)(F)F)c(F)c1C(F)(F)F.
What is the InChIKey of 2,4,6-trifluoro-3,5-bis(trifluoromethyl)pyridine?
The InChIKey is RJMHTDSIXUPOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F9N/c8-3-1(6(11,12)13)4(9)17-5(10)2(3)7(14,15)16.
What are the key properties of 2,4,6-trifluoro-3,5-bis(trifluoromethyl)pyridine?
2,4,6-trifluoro-3,5-bis(trifluoromethyl)pyridine has a molecular weight of 269.07 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-3,5-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 23235886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).