3-(3-chloro-4-hydroxyphenyl)-2,2-difluoro-3-hydroxypropanoic acid

C9H7ClF2O4 — CID 62398871

IUPAC3-(3-chloro-4-hydroxyphenyl)-2,2-difluoro-3-hydroxypropanoic acid
SMILESO=C(O)C(F)(F)C(O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C9H7ClF2O4/c10-5-3-4(1-2-6(5)13)7(14)9(11,12)8(15)16/h1-3,7,13-14H,(H,15,16)
InChIKeyQAGZWIDKZKHLMK-UHFFFAOYSA-N
MW252.60 g/mol
LogP1.80
Rot. Bonds3

About 3-(3-chloro-4-hydroxyphenyl)-2,2-difluoro-3-hydroxypropanoic acid

3-(3-chloro-4-hydroxyphenyl)-2,2-difluoro-3-hydroxypropanoic acid (PubChem CID 62398871) has the molecular formula C9H7ClF2O4 and a molecular weight of 252.60 g/mol. Its IUPAC name is 3-(3-chloro-4-hydroxyphenyl)-2,2-difluoro-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(3-chloro-4-hydroxyphenyl)-2,2-difluoro-3-hydroxypropanoic acid
PubChem CID62398871
Molecular FormulaC9H7ClF2O4
Molecular Weight252.60 g/mol
Exact Mass252.00
IUPAC Name3-(3-chloro-4-hydroxyphenyl)-2,2-difluoro-3-hydroxypropanoic acid
SMILESO=C(O)C(F)(F)C(O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C9H7ClF2O4/c10-5-3-4(1-2-6(5)13)7(14)9(11,12)8(15)16/h1-3,7,13-14H,(H,15,16)
InChIKeyQAGZWIDKZKHLMK-UHFFFAOYSA-N
XLogP1.80
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.60
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(3-chloro-4-hydroxyphenyl)-2,2-difluoro-3-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-hydroxyphenyl)-2,2-difluoro-3-hydroxypropanoic acid?
The IUPAC name of 3-(3-chloro-4-hydroxyphenyl)-2,2-difluoro-3-hydroxypropanoic acid (CID 62398871) is 3-(3-chloro-4-hydroxyphenyl)-2,2-difluoro-3-hydroxypropanoic acid.
What is the SMILES notation for 3-(3-chloro-4-hydroxyphenyl)-2,2-difluoro-3-hydroxypropanoic acid?
The canonical SMILES for 3-(3-chloro-4-hydroxyphenyl)-2,2-difluoro-3-hydroxypropanoic acid is O=C(O)C(F)(F)C(O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-hydroxyphenyl)-2,2-difluoro-3-hydroxypropanoic acid?
The InChIKey is QAGZWIDKZKHLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O4/c10-5-3-4(1-2-6(5)13)7(14)9(11,12)8(15)16/h1-3,7,13-14H,(H,15,16).
What are the key properties of 3-(3-chloro-4-hydroxyphenyl)-2,2-difluoro-3-hydroxypropanoic acid?
3-(3-chloro-4-hydroxyphenyl)-2,2-difluoro-3-hydroxypropanoic acid has a molecular weight of 252.60 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-hydroxyphenyl)-2,2-difluoro-3-hydroxypropanoic acid is sourced from PubChem (CID 62398871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).