1-(2,5-difluoro-3-hydroxyphenyl)ethanone

C8H6F2O2 — CID 118998346

IUPAC1-(2,5-difluoro-3-hydroxyphenyl)ethanone
SMILESCC(=O)c1cc(F)cc(O)c1F
InChIInChI=1S/C8H6F2O2/c1-4(11)6-2-5(9)3-7(12)8(6)10/h2-3,12H,1H3
InChIKeyVGYXMGAUQUPOOO-UHFFFAOYSA-N
MW172.13 g/mol
LogP1.87
Rot. Bonds1

About 1-(2,5-difluoro-3-hydroxyphenyl)ethanone

1-(2,5-difluoro-3-hydroxyphenyl)ethanone (PubChem CID 118998346) has the molecular formula C8H6F2O2 and a molecular weight of 172.13 g/mol. Its IUPAC name is 1-(2,5-difluoro-3-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-difluoro-3-hydroxyphenyl)ethanone
PubChem CID118998346
Molecular FormulaC8H6F2O2
Molecular Weight172.13 g/mol
Exact Mass172.03
IUPAC Name1-(2,5-difluoro-3-hydroxyphenyl)ethanone
SMILESCC(=O)c1cc(F)cc(O)c1F
InChIInChI=1S/C8H6F2O2/c1-4(11)6-2-5(9)3-7(12)8(6)10/h2-3,12H,1H3
InChIKeyVGYXMGAUQUPOOO-UHFFFAOYSA-N
XLogP1.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluoro-3-methoxyphenyl)ethanone
CID 84660399
3-acetyl-2,5-difluorobenzenesulfonyl chloride
CID 43118897
1-(4-fluoro-2-hydroxy-6-iodophenyl)ethanone
CID 171016085
1-(5-bromo-2,3-difluoro-4-hydroxyphenyl)ethanone
CID 117380244
2,3,5-trifluorophenol
CID 2733311
1-(2-amino-3-chloro-5-fluorophenyl)ethanone
CID 67511652
1-(3-bromo-5-fluoro-2-iodophenyl)ethanone
CID 131366424
acetic acid;1,3,5-trifluorobenzene
CID 162178148
2,3,5-trifluorophenol;vanadium
CID 162728237
2-chloro-5-fluoro-3-hydroxybenzoic acid
CID 131954804
1-(2-bromo-5-fluorophenyl)ethanone
CID 22736080
3-acetyl-2-fluoro-5-methylbenzoic acid
CID 164892614

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-3-hydroxyphenyl)ethanone?
The IUPAC name of 1-(2,5-difluoro-3-hydroxyphenyl)ethanone (CID 118998346) is 1-(2,5-difluoro-3-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(2,5-difluoro-3-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(2,5-difluoro-3-hydroxyphenyl)ethanone is CC(=O)c1cc(F)cc(O)c1F.
What is the InChIKey of 1-(2,5-difluoro-3-hydroxyphenyl)ethanone?
The InChIKey is VGYXMGAUQUPOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O2/c1-4(11)6-2-5(9)3-7(12)8(6)10/h2-3,12H,1H3.
What are the key properties of 1-(2,5-difluoro-3-hydroxyphenyl)ethanone?
1-(2,5-difluoro-3-hydroxyphenyl)ethanone has a molecular weight of 172.13 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-3-hydroxyphenyl)ethanone is sourced from PubChem (CID 118998346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).