(2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid

C8H5Cl2FO3 — CID 125129364

IUPAC(2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)[C@H](O)c1c(F)cc(Cl)cc1Cl
InChIInChI=1S/C8H5Cl2FO3/c9-3-1-4(10)6(5(11)2-3)7(12)8(13)14/h1-2,7,12H,(H,13,14)/t7-/m1/s1
InChIKeyATUBYOGXAGUTAS-SSDOTTSWSA-N
MW239.03 g/mol
LogP2.25
Rot. Bonds2

About (2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid

(2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid (PubChem CID 125129364) has the molecular formula C8H5Cl2FO3 and a molecular weight of 239.03 g/mol. Its IUPAC name is (2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid
PubChem CID125129364
Molecular FormulaC8H5Cl2FO3
Molecular Weight239.03 g/mol
Exact Mass237.96
IUPAC Name(2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)[C@H](O)c1c(F)cc(Cl)cc1Cl
InChIInChI=1S/C8H5Cl2FO3/c9-3-1-4(10)6(5(11)2-3)7(12)8(13)14/h1-2,7,12H,(H,13,14)/t7-/m1/s1
InChIKeyATUBYOGXAGUTAS-SSDOTTSWSA-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

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Related Compounds

2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117314963
(2R)-2-hydroxy-2-(2,4,6-trifluorophenyl)acetic acid
CID 131599088
(2S)-2-(2-chloro-3,6-difluorophenyl)-2-hydroxyacetic acid
CID 131460711
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
2-[2-(3,5-dichlorophenyl)-6-fluorophenyl]-2-hydroxyacetic acid
CID 134633829
1,5-dichloro-2-(difluoromethyl)-3-fluorobenzene
CID 119004483
2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341280
2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 134633775
2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid
CID 117384549
2-(3,5-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 117349950
2-(2,5-dichloro-3-fluorophenyl)propanoic acid
CID 117345921
2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 119001488

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid (CID 125129364) is (2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid is O=C(O)[C@H](O)c1c(F)cc(Cl)cc1Cl.
What is the InChIKey of (2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid?
The InChIKey is ATUBYOGXAGUTAS-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H5Cl2FO3/c9-3-1-4(10)6(5(11)2-3)7(12)8(13)14/h1-2,7,12H,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid?
(2R)-2-(2,4-dichloro-6-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 (2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 125129364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).