1-(2,4-difluoro-3-pyridin-4-ylphenyl)propan-1-one

C14H11F2NO — CID 174512186

IUPAC1-(2,4-difluoro-3-pyridin-4-ylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(F)c(-c2ccncc2)c1F
InChIInChI=1S/C14H11F2NO/c1-2-12(18)10-3-4-11(15)13(14(10)16)9-5-7-17-8-6-9/h3-8H,2H2,1H3
InChIKeySSYHPAVICNWOAN-UHFFFAOYSA-N
MW247.24 g/mol
LogP3.62
Rot. Bonds3

About 1-(2,4-difluoro-3-pyridin-4-ylphenyl)propan-1-one

1-(2,4-difluoro-3-pyridin-4-ylphenyl)propan-1-one (PubChem CID 174512186) has the molecular formula C14H11F2NO and a molecular weight of 247.24 g/mol. Its IUPAC name is 1-(2,4-difluoro-3-pyridin-4-ylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,4-difluoro-3-pyridin-4-ylphenyl)propan-1-one
PubChem CID174512186
Molecular FormulaC14H11F2NO
Molecular Weight247.24 g/mol
Exact Mass247.08
IUPAC Name1-(2,4-difluoro-3-pyridin-4-ylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(F)c(-c2ccncc2)c1F
InChIInChI=1S/C14H11F2NO/c1-2-12(18)10-3-4-11(15)13(14(10)16)9-5-7-17-8-6-9/h3-8H,2H2,1H3
InChIKeySSYHPAVICNWOAN-UHFFFAOYSA-N
XLogP3.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
1-(4-bromo-2,3-difluorophenyl)propan-1-one
CID 174816220
1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrol-2-yl]propan-1-one
CID 174486363
1-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]propan-1-one
CID 161227421
butane;3-[(2-carboxyacetyl)oxy-(N-ethyl-2,4-difluoro-3-pyridin-4-ylanilino)methoxy]-3-oxopropanoic acid
CID 70388034
2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 112655384
4-(2,3,4,6-tetrafluorophenyl)pyridine
CID 46317135
4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine
CID 87660487
1-(2,6-difluoro-3-pyridinyl)propan-1-one
CID 53413972
4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine
CID 132532788
ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate
CID 46317978
1-[4-(triazol-2-yl)-3-pyridinyl]propan-1-one
CID 122662739

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-3-pyridin-4-ylphenyl)propan-1-one?
The IUPAC name of 1-(2,4-difluoro-3-pyridin-4-ylphenyl)propan-1-one (CID 174512186) is 1-(2,4-difluoro-3-pyridin-4-ylphenyl)propan-1-one.
What is the SMILES notation for 1-(2,4-difluoro-3-pyridin-4-ylphenyl)propan-1-one?
The canonical SMILES for 1-(2,4-difluoro-3-pyridin-4-ylphenyl)propan-1-one is CCC(=O)c1ccc(F)c(-c2ccncc2)c1F.
What is the InChIKey of 1-(2,4-difluoro-3-pyridin-4-ylphenyl)propan-1-one?
The InChIKey is SSYHPAVICNWOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO/c1-2-12(18)10-3-4-11(15)13(14(10)16)9-5-7-17-8-6-9/h3-8H,2H2,1H3.
What are the key properties of 1-(2,4-difluoro-3-pyridin-4-ylphenyl)propan-1-one?
1-(2,4-difluoro-3-pyridin-4-ylphenyl)propan-1-one has a molecular weight of 247.24 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-3-pyridin-4-ylphenyl)propan-1-one is sourced from PubChem (CID 174512186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).