2-(3,4-difluorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone

C11H11F2NO3 — CID 112736716

IUPAC2-(3,4-difluorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)N1CC(O)CO1
InChIInChI=1S/C11H11F2NO3/c12-9-2-1-7(3-10(9)13)4-11(16)14-5-8(15)6-17-14/h1-3,8,15H,4-6H2
InChIKeyPCFYIGDEKLENNZ-UHFFFAOYSA-N
MW243.21 g/mol
LogP0.64
Rot. Bonds2

About 2-(3,4-difluorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone

2-(3,4-difluorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone (PubChem CID 112736716) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone
PubChem CID112736716
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name2-(3,4-difluorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)N1CC(O)CO1
InChIInChI=1S/C11H11F2NO3/c12-9-2-1-7(3-10(9)13)4-11(16)14-5-8(15)6-17-14/h1-3,8,15H,4-6H2
InChIKeyPCFYIGDEKLENNZ-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-nitrophenyl)ethanone
CID 112736898
2-(3,4-difluorophenyl)-1-pyrrolidin-1-ylethanone
CID 71683361
(3S)-4-[2-(3,4-difluorophenyl)acetyl]morpholine-3-carboxylic acid
CID 124517346
1-[3-(bromomethyl)piperidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 80661179
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 124517329
3-[(3R)-1-[2-(3,4-difluorophenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124701583
1-[2-(3,4-difluorophenyl)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122083685
2-(3,4-difluorophenyl)-1-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 126822746
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 80505019
1-(4-aminooxolan-3-yl)-2-(3,4-difluorophenyl)ethanone
CID 116587594
2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106123755
(2S,4R)-1-[(3,4-difluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 67774272

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone (CID 112736716) is 2-(3,4-difluorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone is O=C(Cc1ccc(F)c(F)c1)N1CC(O)CO1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone?
The InChIKey is PCFYIGDEKLENNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c12-9-2-1-7(3-10(9)13)4-11(16)14-5-8(15)6-17-14/h1-3,8,15H,4-6H2.
What are the key properties of 2-(3,4-difluorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone?
2-(3,4-difluorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone has a molecular weight of 243.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone is sourced from PubChem (CID 112736716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).