2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid

C8H5Cl2FO3 — CID 83898337

IUPAC2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(F)c(Cl)c(Cl)c1O
InChIInChI=1S/C8H5Cl2FO3/c9-6-4(11)1-3(2-5(12)13)8(14)7(6)10/h1,14H,2H2,(H,12,13)
InChIKeyAQAAXQCZQVUSIT-UHFFFAOYSA-N
MW239.03 g/mol
LogP2.47
Rot. Bonds2

About 2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid

2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid (PubChem CID 83898337) has the molecular formula C8H5Cl2FO3 and a molecular weight of 239.03 g/mol. Its IUPAC name is 2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid
PubChem CID83898337
Molecular FormulaC8H5Cl2FO3
Molecular Weight239.03 g/mol
Exact Mass237.96
IUPAC Name2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(F)c(Cl)c(Cl)c1O
InChIInChI=1S/C8H5Cl2FO3/c9-6-4(11)1-3(2-5(12)13)8(14)7(6)10/h1,14H,2H2,(H,12,13)
InChIKeyAQAAXQCZQVUSIT-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
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

3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid
CID 84797135
2-(3-chloro-2,4-difluoro-6-hydroxyphenyl)acetic acid
CID 84788764
2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid
CID 83902718
3-(2-chloro-4,5-difluorophenyl)-2-oxopropanoic acid
CID 19761165
2-(3,5-dichloro-2-hydroxyphenyl)acetic acid
CID 70463293
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2-(6-chloro-4-fluoro-3-pyridinyl)acetic acid
CID 119016121
2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
CID 119005832
2-(2-amino-4-chloro-5-fluorophenyl)acetic acid
CID 19763734
2-(2,3,4,5-tetrafluorophenyl)acetic acid
CID 18625682
2-(4-chloro-3-cyano-5-fluorophenyl)acetic acid
CID 118816538
2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid
CID 84811493

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid (CID 83898337) is 2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid is O=C(O)Cc1cc(F)c(Cl)c(Cl)c1O.
What is the InChIKey of 2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid?
The InChIKey is AQAAXQCZQVUSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2FO3/c9-6-4(11)1-3(2-5(12)13)8(14)7(6)10/h1,14H,2H2,(H,12,13).
What are the key properties of 2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid?
2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid has a molecular weight of 239.03 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid is sourced from PubChem (CID 83898337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).