2,2-difluoro-6-phenoxy-1-pyridin-3-ylhexan-1-one

C17H17F2NO2 — CID 25019392

IUPAC2,2-difluoro-6-phenoxy-1-pyridin-3-ylhexan-1-one
SMILESO=C(c1cccnc1)C(F)(F)CCCCOc1ccccc1
InChIInChI=1S/C17H17F2NO2/c18-17(19,16(21)14-7-6-11-20-13-14)10-4-5-12-22-15-8-2-1-3-9-15/h1-3,6-9,11,13H,4-5,10,12H2
InChIKeyJJIQECNKNOMWOD-UHFFFAOYSA-N
MW305.32 g/mol
LogP4.15
Rot. Bonds8

About 2,2-difluoro-6-phenoxy-1-pyridin-3-ylhexan-1-one

2,2-difluoro-6-phenoxy-1-pyridin-3-ylhexan-1-one (PubChem CID 25019392) 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-3-ylhexan-1-one.

Molecular Properties

Compound Name2,2-difluoro-6-phenoxy-1-pyridin-3-ylhexan-1-one
PubChem CID25019392
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name2,2-difluoro-6-phenoxy-1-pyridin-3-ylhexan-1-one
SMILESO=C(c1cccnc1)C(F)(F)CCCCOc1ccccc1
InChIInChI=1S/C17H17F2NO2/c18-17(19,16(21)14-7-6-11-20-13-14)10-4-5-12-22-15-8-2-1-3-9-15/h1-3,6-9,11,13H,4-5,10,12H2
InChIKeyJJIQECNKNOMWOD-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'}

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Related Compounds

Ondelopran
CID 10457387
3-Pyridinecarboxylic acid, 2-phenoxy-, methyl ester
CID 215890
2-(3-(Trifluoromethyl)phenoxy)nicotinamide
CID 11837154
5H-chromeno(2,3-b)pyridin-5-one
CID 659312
Nicotinic acid, 3-methylphenyl ester
CID 532681
4-Methoxyphenyl nicotinate
CID 532682
4-Methylphenyl pyridine-3-carboxylate
CID 735961
Phenyl 3-pyridinecarboxylate
CID 77018
2-Furanmethanethiol, 5-(3-pyridinyl)-
CID 11993866
6-(4-(2-(Benzylamino)ethyl)phenoxy)nicotinamide
CID 44434057
6-(4-(3-(Benzylamino)propyl)phenoxy)nicotinamide
CID 44434946
N-[3,3-Bis-(4-fluorophenyl)-propyl]-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
CID 44475365

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-phenoxy-1-pyridin-3-ylhexan-1-one?
The IUPAC name of 2,2-difluoro-6-phenoxy-1-pyridin-3-ylhexan-1-one (CID 25019392) is 2,2-difluoro-6-phenoxy-1-pyridin-3-ylhexan-1-one.
What is the SMILES notation for 2,2-difluoro-6-phenoxy-1-pyridin-3-ylhexan-1-one?
The canonical SMILES for 2,2-difluoro-6-phenoxy-1-pyridin-3-ylhexan-1-one is O=C(c1cccnc1)C(F)(F)CCCCOc1ccccc1.
What is the InChIKey of 2,2-difluoro-6-phenoxy-1-pyridin-3-ylhexan-1-one?
The InChIKey is JJIQECNKNOMWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c18-17(19,16(21)14-7-6-11-20-13-14)10-4-5-12-22-15-8-2-1-3-9-15/h1-3,6-9,11,13H,4-5,10,12H2.
What are the key properties of 2,2-difluoro-6-phenoxy-1-pyridin-3-ylhexan-1-one?
2,2-difluoro-6-phenoxy-1-pyridin-3-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-3-ylhexan-1-one is sourced from PubChem (CID 25019392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).