2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone

C10H11F2NO2 — CID 112574299

IUPAC2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
SMILESCCCOc1cncc(C(=O)C(F)F)c1
InChIInChI=1S/C10H11F2NO2/c1-2-3-15-8-4-7(5-13-6-8)9(14)10(11)12/h4-6,10H,2-3H2,1H3
InChIKeyIPBLTOGQHLWMDG-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.32
Rot. Bonds5

About 2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone

2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone (PubChem CID 112574299) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
PubChem CID112574299
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
SMILESCCCOc1cncc(C(=O)C(F)F)c1
InChIInChI=1S/C10H11F2NO2/c1-2-3-15-8-4-7(5-13-6-8)9(14)10(11)12/h4-6,10H,2-3H2,1H3
InChIKeyIPBLTOGQHLWMDG-UHFFFAOYSA-N
XLogP2.32
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
CID 115794017
2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone
CID 116709111
2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone
CID 103458173
2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116680587
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 103446165
2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116566359
2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116554859
4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one
CID 106677594
5-butoxypyridine-3-carboxylic acid
CID 63851154
(4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone
CID 105124282
(5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 114885218
5-hexoxypyridine-3-carboxylic acid
CID 63850317

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone?
The IUPAC name of 2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone (CID 112574299) is 2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone is CCCOc1cncc(C(=O)C(F)F)c1.
What is the InChIKey of 2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone?
The InChIKey is IPBLTOGQHLWMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-2-3-15-8-4-7(5-13-6-8)9(14)10(11)12/h4-6,10H,2-3H2,1H3.
What are the key properties of 2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone?
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone has a molecular weight of 215.20 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 112574299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).