4-(2,2-difluoroethoxy)-2-fluoropyridine

C7H6F3NO — CID 90389627

IUPAC4-(2,2-difluoroethoxy)-2-fluoropyridine
SMILESFc1cc(OCC(F)F)ccn1
InChIInChI=1S/C7H6F3NO/c8-6(9)4-12-5-1-2-11-7(10)3-5/h1-3,6H,4H2
InChIKeyCOKANTQYOLTUBD-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.86
Rot. Bonds3

About 4-(2,2-difluoroethoxy)-2-fluoropyridine

4-(2,2-difluoroethoxy)-2-fluoropyridine (PubChem CID 90389627) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-2-fluoropyridine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-2-fluoropyridine
PubChem CID90389627
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name4-(2,2-difluoroethoxy)-2-fluoropyridine
SMILESFc1cc(OCC(F)F)ccn1
InChIInChI=1S/C7H6F3NO/c8-6(9)4-12-5-1-2-11-7(10)3-5/h1-3,6H,4H2
InChIKeyCOKANTQYOLTUBD-UHFFFAOYSA-N
XLogP1.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2,2-difluoroethoxy)-2-fluoropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-2-fluoropyridine?
The IUPAC name of 4-(2,2-difluoroethoxy)-2-fluoropyridine (CID 90389627) is 4-(2,2-difluoroethoxy)-2-fluoropyridine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-2-fluoropyridine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-2-fluoropyridine is Fc1cc(OCC(F)F)ccn1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-2-fluoropyridine?
The InChIKey is COKANTQYOLTUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c8-6(9)4-12-5-1-2-11-7(10)3-5/h1-3,6H,4H2.
What are the key properties of 4-(2,2-difluoroethoxy)-2-fluoropyridine?
4-(2,2-difluoroethoxy)-2-fluoropyridine has a molecular weight of 177.12 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-2-fluoropyridine is sourced from PubChem (CID 90389627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).