2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid

C8H5Cl2FO3 — CID 119001488

IUPAC2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(F)c(Cl)c1Cl
InChIInChI=1S/C8H5Cl2FO3/c9-5-3(7(12)8(13)14)1-2-4(11)6(5)10/h1-2,7,12H,(H,13,14)
InChIKeyMFJHNVASMXDUNP-UHFFFAOYSA-N
MW239.03 g/mol
LogP2.25
Rot. Bonds2

About 2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid

2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid (PubChem CID 119001488) has the molecular formula C8H5Cl2FO3 and a molecular weight of 239.03 g/mol. Its IUPAC name is 2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
PubChem CID119001488
Molecular FormulaC8H5Cl2FO3
Molecular Weight239.03 g/mol
Exact Mass237.96
IUPAC Name2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(F)c(Cl)c1Cl
InChIInChI=1S/C8H5Cl2FO3/c9-5-3(7(12)8(13)14)1-2-4(11)6(5)10/h1-2,7,12H,(H,13,14)
InChIKeyMFJHNVASMXDUNP-UHFFFAOYSA-N
XLogP2.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.03
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-3-chloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 171000572
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341279
(2S)-2-(2-chloro-3,6-difluorophenyl)-2-hydroxyacetic acid
CID 131460711
2-(2,3-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
CID 118826485
2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131032215
(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 785083
2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid
CID 119022800
(2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid
CID 125129497
(2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129554
3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823546
2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid
CID 117455834

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid (CID 119001488) is 2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(F)c(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid?
The InChIKey is MFJHNVASMXDUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2FO3/c9-5-3(7(12)8(13)14)1-2-4(11)6(5)10/h1-2,7,12H,(H,13,14).
What are the key properties of 2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid?
2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid has a molecular weight of 239.03 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 119001488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).