2-[4-(difluoromethoxy)phenoxy]-1-pyridin-3-ylpentan-1-one

C17H17F2NO3 — CID 86157460

IUPAC2-[4-(difluoromethoxy)phenoxy]-1-pyridin-3-ylpentan-1-one
SMILESCCCC(Oc1ccc(OC(F)F)cc1)C(=O)c1cccnc1
InChIInChI=1S/C17H17F2NO3/c1-2-4-15(16(21)12-5-3-10-20-11-12)22-13-6-8-14(9-7-13)23-17(18)19/h3,5-11,15,17H,2,4H2,1H3
InChIKeyYZBCJPBEOHIXFV-UHFFFAOYSA-N
MW321.32 g/mol
LogP4.11
Rot. Bonds8

About 2-[4-(difluoromethoxy)phenoxy]-1-pyridin-3-ylpentan-1-one

2-[4-(difluoromethoxy)phenoxy]-1-pyridin-3-ylpentan-1-one (PubChem CID 86157460) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenoxy]-1-pyridin-3-ylpentan-1-one.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenoxy]-1-pyridin-3-ylpentan-1-one
PubChem CID86157460
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC Name2-[4-(difluoromethoxy)phenoxy]-1-pyridin-3-ylpentan-1-one
SMILESCCCC(Oc1ccc(OC(F)F)cc1)C(=O)c1cccnc1
InChIInChI=1S/C17H17F2NO3/c1-2-4-15(16(21)12-5-3-10-20-11-12)22-13-6-8-14(9-7-13)23-17(18)19/h3,5-11,15,17H,2,4H2,1H3
InChIKeyYZBCJPBEOHIXFV-UHFFFAOYSA-N
XLogP4.11
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-1-pyridin-3-ylpentan-1-one
CID 86157446
2-(4-chlorophenoxy)-1-pyridin-3-ylhexan-1-one
CID 19817135
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4606175
[3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 114963185
4-(difluoromethoxy)-N-methyl-N-(1-pyridin-3-ylpentyl)benzamide
CID 131892363
2-pyridin-3-yloxybutanoic acid
CID 18796174
2-(4-chlorophenoxy)-1-pyrimidin-5-ylhexan-1-one
CID 86153664
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide
CID 86967156
3-methyl-2-(4-phenylphenoxy)-1-pyridin-3-ylbutan-1-one
CID 86157678
2-phenoxypentaneperoxoic acid
CID 18459699
2-chloro-1-pyridin-3-ylbutan-1-one
CID 19779673
diethyl 2-(pyridine-3-carbonyl)butanedioate
CID 45039205

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenoxy]-1-pyridin-3-ylpentan-1-one?
The IUPAC name of 2-[4-(difluoromethoxy)phenoxy]-1-pyridin-3-ylpentan-1-one (CID 86157460) is 2-[4-(difluoromethoxy)phenoxy]-1-pyridin-3-ylpentan-1-one.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenoxy]-1-pyridin-3-ylpentan-1-one?
The canonical SMILES for 2-[4-(difluoromethoxy)phenoxy]-1-pyridin-3-ylpentan-1-one is CCCC(Oc1ccc(OC(F)F)cc1)C(=O)c1cccnc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenoxy]-1-pyridin-3-ylpentan-1-one?
The InChIKey is YZBCJPBEOHIXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-2-4-15(16(21)12-5-3-10-20-11-12)22-13-6-8-14(9-7-13)23-17(18)19/h3,5-11,15,17H,2,4H2,1H3.
What are the key properties of 2-[4-(difluoromethoxy)phenoxy]-1-pyridin-3-ylpentan-1-one?
2-[4-(difluoromethoxy)phenoxy]-1-pyridin-3-ylpentan-1-one has a molecular weight of 321.32 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenoxy]-1-pyridin-3-ylpentan-1-one is sourced from PubChem (CID 86157460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).