1-(2,3-difluoro-6-hydroxyphenyl)propan-2-one

C9H8F2O2 — CID 83876626

IUPAC1-(2,3-difluoro-6-hydroxyphenyl)propan-2-one
SMILESCC(=O)Cc1c(O)ccc(F)c1F
InChIInChI=1S/C9H8F2O2/c1-5(12)4-6-8(13)3-2-7(10)9(6)11/h2-3,13H,4H2,1H3
InChIKeySPHNVFXAKPXTTK-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.80
Rot. Bonds2

About 1-(2,3-difluoro-6-hydroxyphenyl)propan-2-one

1-(2,3-difluoro-6-hydroxyphenyl)propan-2-one (PubChem CID 83876626) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 1-(2,3-difluoro-6-hydroxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2,3-difluoro-6-hydroxyphenyl)propan-2-one
PubChem CID83876626
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name1-(2,3-difluoro-6-hydroxyphenyl)propan-2-one
SMILESCC(=O)Cc1c(O)ccc(F)c1F
InChIInChI=1S/C9H8F2O2/c1-5(12)4-6-8(13)3-2-7(10)9(6)11/h2-3,13H,4H2,1H3
InChIKeySPHNVFXAKPXTTK-UHFFFAOYSA-N
XLogP1.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one
CID 83900104
1-(2,3,6-trifluoro-5-hydroxyphenyl)propan-2-one
CID 117292301
1-(2,3,5,6-tetrafluorophenyl)propan-2-one
CID 117294401
2-ethyl-3,4-difluorophenol
CID 130218632
1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one
CID 84658379
2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde
CID 83874123
1-(3-bromo-6-fluoro-2-hydroxyphenyl)propan-2-one
CID 83900120
1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one
CID 146613098
1-(3-chloro-2,5-difluoro-6-hydroxyphenyl)propan-2-one
CID 117314974
1-(5-chloro-2-fluoro-3,6-dihydroxyphenyl)propan-2-one
CID 84786403
1-(2-chloro-3-hydroxy-6-methylphenyl)propan-2-one
CID 144751805
1-(2-fluoro-6-methylphenyl)propan-2-one
CID 84765067

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-6-hydroxyphenyl)propan-2-one?
The IUPAC name of 1-(2,3-difluoro-6-hydroxyphenyl)propan-2-one (CID 83876626) is 1-(2,3-difluoro-6-hydroxyphenyl)propan-2-one.
What is the SMILES notation for 1-(2,3-difluoro-6-hydroxyphenyl)propan-2-one?
The canonical SMILES for 1-(2,3-difluoro-6-hydroxyphenyl)propan-2-one is CC(=O)Cc1c(O)ccc(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-6-hydroxyphenyl)propan-2-one?
The InChIKey is SPHNVFXAKPXTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c1-5(12)4-6-8(13)3-2-7(10)9(6)11/h2-3,13H,4H2,1H3.
What are the key properties of 1-(2,3-difluoro-6-hydroxyphenyl)propan-2-one?
1-(2,3-difluoro-6-hydroxyphenyl)propan-2-one has a molecular weight of 186.16 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-6-hydroxyphenyl)propan-2-one is sourced from PubChem (CID 83876626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).