1-(5,7-difluoro-2-hydroxy-2H-chromen-3-yl)ethanone

C11H8F2O3 — CID 146228532

IUPAC1-(5,7-difluoro-2-hydroxy-2H-chromen-3-yl)ethanone
SMILESCC(=O)C1=Cc2c(F)cc(F)cc2OC1O
InChIInChI=1S/C11H8F2O3/c1-5(14)7-4-8-9(13)2-6(12)3-10(8)16-11(7)15/h2-4,11,15H,1H3
InChIKeyRTFIBQOWXNZQAH-UHFFFAOYSA-N
MW226.18 g/mol
LogP1.65
Rot. Bonds1

About 1-(5,7-difluoro-2-hydroxy-2H-chromen-3-yl)ethanone

1-(5,7-difluoro-2-hydroxy-2H-chromen-3-yl)ethanone (PubChem CID 146228532) has the molecular formula C11H8F2O3 and a molecular weight of 226.18 g/mol. Its IUPAC name is 1-(5,7-difluoro-2-hydroxy-2H-chromen-3-yl)ethanone.

Molecular Properties

Compound Name1-(5,7-difluoro-2-hydroxy-2H-chromen-3-yl)ethanone
PubChem CID146228532
Molecular FormulaC11H8F2O3
Molecular Weight226.18 g/mol
Exact Mass226.04
IUPAC Name1-(5,7-difluoro-2-hydroxy-2H-chromen-3-yl)ethanone
SMILESCC(=O)C1=Cc2c(F)cc(F)cc2OC1O
InChIInChI=1S/C11H8F2O3/c1-5(14)7-4-8-9(13)2-6(12)3-10(8)16-11(7)15/h2-4,11,15H,1H3
InChIKeyRTFIBQOWXNZQAH-UHFFFAOYSA-N
XLogP1.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,4-difluorophenyl)-5,7-difluoro-2H-chromene
CID 168762994
1-(6,8-difluoro-3,4-dihydro-2H-chromen-2-yl)ethanone
CID 117051043
acetic acid;1,3,5-trifluorobenzene
CID 162178148
4,6-difluoro-3-hydroxy-3H-2-benzofuran-1-one
CID 82544293
4-(2,4,6-trifluorophenyl)but-3-en-2-one
CID 172817881
1-(4-chlorophenyl)-2-(2,4,6-trifluorophenyl)butane-1,3-dione
CID 86053587
methanol;2,4,6-trifluorophenol
CID 145053745
1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155094
1-[(2S)-7-fluoro-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone
CID 155324142
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101051
1-(2-amino-3-chloro-5-fluorophenyl)ethanone
CID 67511652
2,3,5,7-tetrafluoro-2,3-dihydro-1,4-benzodioxine
CID 173112940

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-difluoro-2-hydroxy-2H-chromen-3-yl)ethanone?
The IUPAC name of 1-(5,7-difluoro-2-hydroxy-2H-chromen-3-yl)ethanone (CID 146228532) is 1-(5,7-difluoro-2-hydroxy-2H-chromen-3-yl)ethanone.
What is the SMILES notation for 1-(5,7-difluoro-2-hydroxy-2H-chromen-3-yl)ethanone?
The canonical SMILES for 1-(5,7-difluoro-2-hydroxy-2H-chromen-3-yl)ethanone is CC(=O)C1=Cc2c(F)cc(F)cc2OC1O.
What is the InChIKey of 1-(5,7-difluoro-2-hydroxy-2H-chromen-3-yl)ethanone?
The InChIKey is RTFIBQOWXNZQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2O3/c1-5(14)7-4-8-9(13)2-6(12)3-10(8)16-11(7)15/h2-4,11,15H,1H3.
What are the key properties of 1-(5,7-difluoro-2-hydroxy-2H-chromen-3-yl)ethanone?
1-(5,7-difluoro-2-hydroxy-2H-chromen-3-yl)ethanone has a molecular weight of 226.18 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-difluoro-2-hydroxy-2H-chromen-3-yl)ethanone is sourced from PubChem (CID 146228532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).