2-(3-fluoro-4,5-diiodophenyl)-2-hydroxyacetic acid

C8H5FI2O3 — CID 131214006

IUPAC2-(3-fluoro-4,5-diiodophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(F)c(I)c(I)c1
InChIInChI=1S/C8H5FI2O3/c9-4-1-3(7(12)8(13)14)2-5(10)6(4)11/h1-2,7,12H,(H,13,14)
InChIKeyBJIXCDAVAFVCSD-UHFFFAOYSA-N
MW421.93 g/mol
LogP2.15
Rot. Bonds2

About 2-(3-fluoro-4,5-diiodophenyl)-2-hydroxyacetic acid

2-(3-fluoro-4,5-diiodophenyl)-2-hydroxyacetic acid (PubChem CID 131214006) has the molecular formula C8H5FI2O3 and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-(3-fluoro-4,5-diiodophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-fluoro-4,5-diiodophenyl)-2-hydroxyacetic acid
PubChem CID131214006
Molecular FormulaC8H5FI2O3
Molecular Weight421.93 g/mol
Exact Mass421.83
IUPAC Name2-(3-fluoro-4,5-diiodophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(F)c(I)c(I)c1
InChIInChI=1S/C8H5FI2O3/c9-4-1-3(7(12)8(13)14)2-5(10)6(4)11/h1-2,7,12H,(H,13,14)
InChIKeyBJIXCDAVAFVCSD-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_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride
CID 70033662
2-hydroxy-2-[3-iodo-4,5-bis(trifluoromethyl)phenyl]acetic acid
CID 134638431
2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid
CID 131574789
2-(4-fluoro-2,5-diiodophenyl)-2-hydroxyacetic acid
CID 118991913
2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid
CID 171000893
2-(5-bromo-3-fluoro-2-iodophenyl)-2-hydroxyacetic acid
CID 171001339
2-hydroxy-2-(3,4,5-trihydroxyphenyl)acetic acid
CID 45092881
2-(3,5-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 117349950
2-(3-cyano-5-fluoro-4-hydroxyphenyl)-2-hydroxyacetic acid
CID 117300911
2-(7-fluoro-1,3-benzodioxol-5-yl)-2-hydroxyacetic acid
CID 117304924
2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 117313687
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid
CID 117328174

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4,5-diiodophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-fluoro-4,5-diiodophenyl)-2-hydroxyacetic acid (CID 131214006) is 2-(3-fluoro-4,5-diiodophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-fluoro-4,5-diiodophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-fluoro-4,5-diiodophenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1cc(F)c(I)c(I)c1.
What is the InChIKey of 2-(3-fluoro-4,5-diiodophenyl)-2-hydroxyacetic acid?
The InChIKey is BJIXCDAVAFVCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FI2O3/c9-4-1-3(7(12)8(13)14)2-5(10)6(4)11/h1-2,7,12H,(H,13,14).
What are the key properties of 2-(3-fluoro-4,5-diiodophenyl)-2-hydroxyacetic acid?
2-(3-fluoro-4,5-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-(3-fluoro-4,5-diiodophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 131214006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).