2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid

C9H8F2O3 — CID 117290622

IUPAC2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid
SMILESCC(C(=O)O)c1cc(F)c(O)cc1F
InChIInChI=1S/C9H8F2O3/c1-4(9(13)14)5-2-7(11)8(12)3-6(5)10/h2-4,12H,1H3,(H,13,14)
InChIKeyLYKGCIGDGMTDCG-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.86
Rot. Bonds2

About 2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid

2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid (PubChem CID 117290622) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid
PubChem CID117290622
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Name2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid
SMILESCC(C(=O)O)c1cc(F)c(O)cc1F
InChIInChI=1S/C9H8F2O3/c1-4(9(13)14)5-2-7(11)8(12)3-6(5)10/h2-4,12H,1H3,(H,13,14)
InChIKeyLYKGCIGDGMTDCG-UHFFFAOYSA-N
XLogP1.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-5-hydroxy-4-methoxyphenyl)propanoic acid
CID 117305117
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
2-(3-bromo-5-fluoro-2,4-dihydroxyphenyl)propanoic acid
CID 84811488
2,5-difluoro-4-[(1S)-1-(methylamino)ethyl]phenol
CID 130706307
2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 117300317
2-(4-bromo-2-fluorophenyl)propanoic acid
CID 67119220
2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid
CID 83895316
3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 117307767
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 117393928
methyl (2S)-2-(2,5-difluoro-4-methylphenyl)propanoate
CID 124636879
2-(5-bromo-2,3-difluorophenyl)propanoic acid
CID 84807513
2-(2,5-dichloro-3-fluorophenyl)propanoic acid
CID 117345921

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid (CID 117290622) is 2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid is CC(C(=O)O)c1cc(F)c(O)cc1F.
What is the InChIKey of 2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid?
The InChIKey is LYKGCIGDGMTDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3/c1-4(9(13)14)5-2-7(11)8(12)3-6(5)10/h2-4,12H,1H3,(H,13,14).
What are the key properties of 2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid?
2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid has a molecular weight of 202.16 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 117290622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).