2-[4-(3-chloropropanoyl)-2-fluorophenyl]-2-hydroxyacetic acid

C11H10ClFO4 — CID 118829620

IUPAC2-[4-(3-chloropropanoyl)-2-fluorophenyl]-2-hydroxyacetic acid
SMILESO=C(CCCl)c1ccc(C(O)C(=O)O)c(F)c1
InChIInChI=1S/C11H10ClFO4/c12-4-3-9(14)6-1-2-7(8(13)5-6)10(15)11(16)17/h1-2,5,10,15H,3-4H2,(H,16,17)
InChIKeyDWTRHUVILSSVCO-UHFFFAOYSA-N
MW260.65 g/mol
LogP1.76
Rot. Bonds5

About 2-[4-(3-chloropropanoyl)-2-fluorophenyl]-2-hydroxyacetic acid

2-[4-(3-chloropropanoyl)-2-fluorophenyl]-2-hydroxyacetic acid (PubChem CID 118829620) has the molecular formula C11H10ClFO4 and a molecular weight of 260.65 g/mol. Its IUPAC name is 2-[4-(3-chloropropanoyl)-2-fluorophenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[4-(3-chloropropanoyl)-2-fluorophenyl]-2-hydroxyacetic acid
PubChem CID118829620
Molecular FormulaC11H10ClFO4
Molecular Weight260.65 g/mol
Exact Mass260.03
IUPAC Name2-[4-(3-chloropropanoyl)-2-fluorophenyl]-2-hydroxyacetic acid
SMILESO=C(CCCl)c1ccc(C(O)C(=O)O)c(F)c1
InChIInChI=1S/C11H10ClFO4/c12-4-3-9(14)6-1-2-7(8(13)5-6)10(15)11(16)17/h1-2,5,10,15H,3-4H2,(H,16,17)
InChIKeyDWTRHUVILSSVCO-UHFFFAOYSA-N
XLogP1.76
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(bromomethyl)-4-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid
CID 134656322
2-[5-(3-chloropropanoyl)-2-iodophenyl]-2-hydroxyacetic acid
CID 135740900
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
2-[4-(3-bromopropanoyl)-2-sulfanylphenyl]-2-hydroxyacetic acid
CID 134657534
2-[2-(3-chloropropanoyl)-4-methylsulfanylphenyl]-2-hydroxyacetic acid
CID 118831083
1-(3-bromo-4-fluorophenyl)-3-chloropropan-1-one
CID 82122677
2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid
CID 134656340
2-[2-(3-chloropropanoyl)-4-formylphenyl]-2-hydroxyacetic acid
CID 118814149
3-bromo-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-one
CID 134625407
2-[5-(3-bromopropanoyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 135741133
2-[2-(3-chloropropanoyl)-5-sulfanylphenyl]-2-hydroxyacetic acid
CID 118825403
2-[5-(3-bromopropanoyl)-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134656604

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloropropanoyl)-2-fluorophenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[4-(3-chloropropanoyl)-2-fluorophenyl]-2-hydroxyacetic acid (CID 118829620) is 2-[4-(3-chloropropanoyl)-2-fluorophenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[4-(3-chloropropanoyl)-2-fluorophenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[4-(3-chloropropanoyl)-2-fluorophenyl]-2-hydroxyacetic acid is O=C(CCCl)c1ccc(C(O)C(=O)O)c(F)c1.
What is the InChIKey of 2-[4-(3-chloropropanoyl)-2-fluorophenyl]-2-hydroxyacetic acid?
The InChIKey is DWTRHUVILSSVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO4/c12-4-3-9(14)6-1-2-7(8(13)5-6)10(15)11(16)17/h1-2,5,10,15H,3-4H2,(H,16,17).
What are the key properties of 2-[4-(3-chloropropanoyl)-2-fluorophenyl]-2-hydroxyacetic acid?
2-[4-(3-chloropropanoyl)-2-fluorophenyl]-2-hydroxyacetic acid has a molecular weight of 260.65 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloropropanoyl)-2-fluorophenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 118829620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).