2-ethoxy-3,4,6-trifluoropyridine

C7H6F3NO — CID 173151016

IUPAC2-ethoxy-3,4,6-trifluoropyridine
SMILESCCOc1nc(F)cc(F)c1F
InChIInChI=1S/C7H6F3NO/c1-2-12-7-6(10)4(8)3-5(9)11-7/h3H,2H2,1H3
InChIKeyBBLXVIAVIZPQFI-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.90
Rot. Bonds2

About 2-ethoxy-3,4,6-trifluoropyridine

2-ethoxy-3,4,6-trifluoropyridine (PubChem CID 173151016) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 2-ethoxy-3,4,6-trifluoropyridine.

Molecular Properties

Compound Name2-ethoxy-3,4,6-trifluoropyridine
PubChem CID173151016
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name2-ethoxy-3,4,6-trifluoropyridine
SMILESCCOc1nc(F)cc(F)c1F
InChIInChI=1S/C7H6F3NO/c1-2-12-7-6(10)4(8)3-5(9)11-7/h3H,2H2,1H3
InChIKeyBBLXVIAVIZPQFI-UHFFFAOYSA-N
XLogP1.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethoxy-3,4,6-trifluoropyridine?
The IUPAC name of 2-ethoxy-3,4,6-trifluoropyridine (CID 173151016) is 2-ethoxy-3,4,6-trifluoropyridine.
What is the SMILES notation for 2-ethoxy-3,4,6-trifluoropyridine?
The canonical SMILES for 2-ethoxy-3,4,6-trifluoropyridine is CCOc1nc(F)cc(F)c1F.
What is the InChIKey of 2-ethoxy-3,4,6-trifluoropyridine?
The InChIKey is BBLXVIAVIZPQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c1-2-12-7-6(10)4(8)3-5(9)11-7/h3H,2H2,1H3.
What are the key properties of 2-ethoxy-3,4,6-trifluoropyridine?
2-ethoxy-3,4,6-trifluoropyridine has a molecular weight of 177.12 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,4,6-trifluoropyridine is sourced from PubChem (CID 173151016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).