2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexan-1-one

C17H17F2NO2 — CID 25019137

IUPAC2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexan-1-one
SMILESO=C(c1ccccn1)C(F)(F)CCCCOc1ccccc1
InChIInChI=1S/C17H17F2NO2/c18-17(19,16(21)15-10-4-6-12-20-15)11-5-7-13-22-14-8-2-1-3-9-14/h1-4,6,8-10,12H,5,7,11,13H2
InChIKeyCJRKQEPIVFQIAT-UHFFFAOYSA-N
MW305.32 g/mol
LogP4.15
Rot. Bonds8

About 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexan-1-one

2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexan-1-one (PubChem CID 25019137) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexan-1-one.

Molecular Properties

Compound Name2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexan-1-one
PubChem CID25019137
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexan-1-one
SMILESO=C(c1ccccn1)C(F)(F)CCCCOc1ccccc1
InChIInChI=1S/C17H17F2NO2/c18-17(19,16(21)15-10-4-6-12-20-15)11-5-7-13-22-14-8-2-1-3-9-14/h1-4,6,8-10,12H,5,7,11,13H2
InChIKeyCJRKQEPIVFQIAT-UHFFFAOYSA-N
XLogP4.15
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexan-1-one 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 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexan-1-one?
The IUPAC name of 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexan-1-one (CID 25019137) is 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexan-1-one.
What is the SMILES notation for 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexan-1-one?
The canonical SMILES for 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexan-1-one is O=C(c1ccccn1)C(F)(F)CCCCOc1ccccc1.
What is the InChIKey of 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexan-1-one?
The InChIKey is CJRKQEPIVFQIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c18-17(19,16(21)15-10-4-6-12-20-15)11-5-7-13-22-14-8-2-1-3-9-14/h1-4,6,8-10,12H,5,7,11,13H2.
What are the key properties of 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexan-1-one?
2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexan-1-one has a molecular weight of 305.32 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexan-1-one is sourced from PubChem (CID 25019137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).