2-(4-fluoro-2,5-diiodophenyl)-2-hydroxyacetic acid

C8H5FI2O3 — CID 118991913

IUPAC2-(4-fluoro-2,5-diiodophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(I)c(F)cc1I
InChIInChI=1S/C8H5FI2O3/c9-4-2-5(10)3(1-6(4)11)7(12)8(13)14/h1-2,7,12H,(H,13,14)
InChIKeyYPCPBYBQARTDMZ-UHFFFAOYSA-N
MW421.93 g/mol
LogP2.15
Rot. Bonds2

About 2-(4-fluoro-2,5-diiodophenyl)-2-hydroxyacetic acid

2-(4-fluoro-2,5-diiodophenyl)-2-hydroxyacetic acid (PubChem CID 118991913) has the molecular formula C8H5FI2O3 and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-(4-fluoro-2,5-diiodophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-fluoro-2,5-diiodophenyl)-2-hydroxyacetic acid
PubChem CID118991913
Molecular FormulaC8H5FI2O3
Molecular Weight421.93 g/mol
Exact Mass421.83
IUPAC Name2-(4-fluoro-2,5-diiodophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(I)c(F)cc1I
InChIInChI=1S/C8H5FI2O3/c9-4-2-5(10)3(1-6(4)11)7(12)8(13)14/h1-2,7,12H,(H,13,14)
InChIKeyYPCPBYBQARTDMZ-UHFFFAOYSA-N
XLogP2.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid
CID 118839559
2-(5-bromo-3-fluoro-2-iodophenyl)-2-hydroxyacetic acid
CID 171001339
(2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid
CID 70080177
2-(3-fluoro-4,5-diiodophenyl)-2-hydroxyacetic acid
CID 131214006
(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid
CID 139199353
2-hydroxy-2-(3,4,5-trifluoro-2-hydroxyphenyl)acetic acid
CID 117317411
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-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 119001488
(2R)-2-hydroxy-2-(2,4,6-trifluorophenyl)acetic acid
CID 131599088
2-hydroxy-2-(2-iodo-4-propanoylphenyl)acetic acid
CID 134657448
2-(4-bromo-2-fluoro-3-iodophenyl)-2-hydroxyacetic acid
CID 171001481
2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid
CID 171000601

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2,5-diiodophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-fluoro-2,5-diiodophenyl)-2-hydroxyacetic acid (CID 118991913) is 2-(4-fluoro-2,5-diiodophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-fluoro-2,5-diiodophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-fluoro-2,5-diiodophenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1cc(I)c(F)cc1I.
What is the InChIKey of 2-(4-fluoro-2,5-diiodophenyl)-2-hydroxyacetic acid?
The InChIKey is YPCPBYBQARTDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FI2O3/c9-4-2-5(10)3(1-6(4)11)7(12)8(13)14/h1-2,7,12H,(H,13,14).
What are the key properties of 2-(4-fluoro-2,5-diiodophenyl)-2-hydroxyacetic acid?
2-(4-fluoro-2,5-diiodophenyl)-2-hydroxyacetic acid has a molecular weight of 421.93 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2,5-diiodophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 118991913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).