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

C11H10ClFO4 — CID 134657139

IUPAC2-[4-(2-chloropropanoyl)-3-fluorophenyl]-2-hydroxyacetic acid
SMILESCC(Cl)C(=O)c1ccc(C(O)C(=O)O)cc1F
InChIInChI=1S/C11H10ClFO4/c1-5(12)9(14)7-3-2-6(4-8(7)13)10(15)11(16)17/h2-5,10,15H,1H3,(H,16,17)
InChIKeyFRLSXRVNJDWPLE-UHFFFAOYSA-N
MW260.65 g/mol
LogP1.75
Rot. Bonds4

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

2-[4-(2-chloropropanoyl)-3-fluorophenyl]-2-hydroxyacetic acid (PubChem CID 134657139) has the molecular formula C11H10ClFO4 and a molecular weight of 260.65 g/mol. Its IUPAC name is 2-[4-(2-chloropropanoyl)-3-fluorophenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[4-(2-chloropropanoyl)-3-fluorophenyl]-2-hydroxyacetic acid
PubChem CID134657139
Molecular FormulaC11H10ClFO4
Molecular Weight260.65 g/mol
Exact Mass260.03
IUPAC Name2-[4-(2-chloropropanoyl)-3-fluorophenyl]-2-hydroxyacetic acid
SMILESCC(Cl)C(=O)c1ccc(C(O)C(=O)O)cc1F
InChIInChI=1S/C11H10ClFO4/c1-5(12)9(14)7-3-2-6(4-8(7)13)10(15)11(16)17/h2-5,10,15H,1H3,(H,16,17)
InChIKeyFRLSXRVNJDWPLE-UHFFFAOYSA-N
XLogP1.75
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 51.75
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-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 117313687
1-[2,4-bis(difluoromethyl)phenyl]-2-chloropropan-1-one
CID 166640747
1-[2,5-bis(difluoromethyl)phenyl]-2-chloropropan-1-one
CID 166640748
2-[4-amino-2-(2-chloropropanoyl)phenyl]-2-hydroxyacetic acid
CID 118800972
2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 134633775
2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 134633828
4-(2,4-difluorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414908
(1S)-1-(3,4-difluorophenyl)ethanamine;2-hydroxy-2-phenylacetic acid
CID 174417631
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 785083
(2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 70537702
2-hydroxy-2-(3-methylsulfanyl-4-propanoylphenyl)acetic acid
CID 134657808

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloropropanoyl)-3-fluorophenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[4-(2-chloropropanoyl)-3-fluorophenyl]-2-hydroxyacetic acid (CID 134657139) is 2-[4-(2-chloropropanoyl)-3-fluorophenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[4-(2-chloropropanoyl)-3-fluorophenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[4-(2-chloropropanoyl)-3-fluorophenyl]-2-hydroxyacetic acid is CC(Cl)C(=O)c1ccc(C(O)C(=O)O)cc1F.
What is the InChIKey of 2-[4-(2-chloropropanoyl)-3-fluorophenyl]-2-hydroxyacetic acid?
The InChIKey is FRLSXRVNJDWPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO4/c1-5(12)9(14)7-3-2-6(4-8(7)13)10(15)11(16)17/h2-5,10,15H,1H3,(H,16,17).
What are the key properties of 2-[4-(2-chloropropanoyl)-3-fluorophenyl]-2-hydroxyacetic acid?
2-[4-(2-chloropropanoyl)-3-fluorophenyl]-2-hydroxyacetic acid has a molecular weight of 260.65 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloropropanoyl)-3-fluorophenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 134657139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).