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

C8H6F2O2 — CID 2736976

IUPAC1-(3,5-difluoro-2-hydroxyphenyl)ethanone
SMILESCC(=O)c1cc(F)cc(F)c1O
InChIInChI=1S/C8H6F2O2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3
InChIKeyMCDJUVXLLXTCFP-UHFFFAOYSA-N
MW172.13 g/mol
LogP1.87
Rot. Bonds1

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

1-(3,5-difluoro-2-hydroxyphenyl)ethanone (PubChem CID 2736976) has the molecular formula C8H6F2O2 and a molecular weight of 172.13 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-difluoro-2-hydroxyphenyl)ethanone
PubChem CID2736976
Molecular FormulaC8H6F2O2
Molecular Weight172.13 g/mol
Exact Mass172.03
IUPAC Name1-(3,5-difluoro-2-hydroxyphenyl)ethanone
SMILESCC(=O)c1cc(F)cc(F)c1O
InChIInChI=1S/C8H6F2O2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3
InChIKeyMCDJUVXLLXTCFP-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-hydroxyphenyl)ethanone?
The IUPAC name of 1-(3,5-difluoro-2-hydroxyphenyl)ethanone (CID 2736976) is 1-(3,5-difluoro-2-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(3,5-difluoro-2-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(3,5-difluoro-2-hydroxyphenyl)ethanone is CC(=O)c1cc(F)cc(F)c1O.
What is the InChIKey of 1-(3,5-difluoro-2-hydroxyphenyl)ethanone?
The InChIKey is MCDJUVXLLXTCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3.
What are the key properties of 1-(3,5-difluoro-2-hydroxyphenyl)ethanone?
1-(3,5-difluoro-2-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-(3,5-difluoro-2-hydroxyphenyl)ethanone is sourced from PubChem (CID 2736976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).