3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid

C9H8F2O3 — CID 84670441

IUPAC3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)CC(F)(F)c1ccc(O)cc1
InChIInChI=1S/C9H8F2O3/c10-9(11,5-8(13)14)6-1-3-7(12)4-2-6/h1-4,12H,5H2,(H,13,14)
InChIKeyOWEXHTBPZRYBNQ-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.96
Rot. Bonds3

About 3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid

3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 84670441) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is 3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid
PubChem CID84670441
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Name3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)CC(F)(F)c1ccc(O)cc1
InChIInChI=1S/C9H8F2O3/c10-9(11,5-8(13)14)6-1-3-7(12)4-2-6/h1-4,12H,5H2,(H,13,14)
InChIKeyOWEXHTBPZRYBNQ-UHFFFAOYSA-N
XLogP1.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-3-(4-propylphenyl)propanoic acid
CID 116838337
2,3-bis(4-hydroxyphenyl)butane-1,2,3,4-tetracarboxylic acid
CID 139878478
3-(4-butan-2-ylphenyl)-3,3-difluoropropanoic acid
CID 116838338
4,4,4-trifluoro-3-(4-hydroxyphenyl)-3-methoxybutanoic acid
CID 84738454
3,3-difluoro-3-[4-(4-methylcyclohexyl)phenyl]propanoic acid
CID 162547919
3-[3-chloro-4-(trifluoromethyl)phenyl]-3,3-difluoropropanoic acid
CID 162738261
5,5,5-trifluoro-4,4-bis(4-hydroxyphenyl)pentanoic acid
CID 138465689
3,3-difluoro-3-(3-fluorophenyl)propanoic acid
CID 84672023
3,3-difluoro-3-(3-methylphenyl)propanoic acid;ethane
CID 170751473
4-(1,1-difluoro-2-methoxyethyl)phenol
CID 83855813
4-(2-aminooxy-1,1-difluoroethyl)phenol
CID 115017673
3,3-difluoro-3-(4-hydroxyphenyl)propanenitrile
CID 115016358

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid (CID 84670441) is 3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid is O=C(O)CC(F)(F)c1ccc(O)cc1.
What is the InChIKey of 3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is OWEXHTBPZRYBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3/c10-9(11,5-8(13)14)6-1-3-7(12)4-2-6/h1-4,12H,5H2,(H,13,14).
What are the key properties of 3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid?
3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 202.16 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 84670441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).