3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid

C10H10F2O3 — CID 83886950

IUPAC3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid
SMILESCC(CC(=O)O)c1c(O)ccc(F)c1F
InChIInChI=1S/C10H10F2O3/c1-5(4-8(14)15)9-7(13)3-2-6(11)10(9)12/h2-3,5,13H,4H2,1H3,(H,14,15)
InChIKeyFKEIPGCPHKFABX-UHFFFAOYSA-N
MW216.18 g/mol
LogP2.25
Rot. Bonds3

About 3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid

3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid (PubChem CID 83886950) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid
PubChem CID83886950
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid
SMILESCC(CC(=O)O)c1c(O)ccc(F)c1F
InChIInChI=1S/C10H10F2O3/c1-5(4-8(14)15)9-7(13)3-2-6(11)10(9)12/h2-3,5,13H,4H2,1H3,(H,14,15)
InChIKeyFKEIPGCPHKFABX-UHFFFAOYSA-N
XLogP2.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-2,6-difluorophenyl)butanoic acid
CID 84698122
3,4-difluoro-2-propan-2-ylphenol
CID 130384199
3-(2-chloro-3,4-difluorophenyl)butanoic acid
CID 84698120
3-(3-chloro-6-fluoro-2-methylphenyl)butanoic acid
CID 84794038
3-[4-fluoro-3-(2,3,4-trifluorophenyl)phenyl]butanoic acid
CID 110447449
2-(1-aminoethyl)-3,4-difluorophenol
CID 84654585
3-(3,5-difluoro-2,6-dimethylphenyl)butanoic acid
CID 84792166
3-(5-chloro-2-hydroxyphenyl)butanoic acid
CID 131360559
(3R)-3-amino-3-(2,3,6-trifluorophenyl)propanoic acid;hydrochloride
CID 162344590
3-(3-chloro-6-hydroxy-2-methoxyphenyl)butanoic acid
CID 83899880
3-(6-fluoro-3-methoxy-2-methylphenyl)butanoic acid
CID 84690415
3-[2-(difluoromethyl)-3-fluorophenyl]butanoic acid
CID 84695364

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid?
The IUPAC name of 3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid (CID 83886950) is 3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid?
The canonical SMILES for 3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid is CC(CC(=O)O)c1c(O)ccc(F)c1F.
What is the InChIKey of 3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid?
The InChIKey is FKEIPGCPHKFABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-5(4-8(14)15)9-7(13)3-2-6(11)10(9)12/h2-3,5,13H,4H2,1H3,(H,14,15).
What are the key properties of 3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid?
3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid has a molecular weight of 216.18 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 83886950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).