2-(5-fluoro-2-iodooxyphenyl)acetic acid

C8H6FIO3 — CID 174319514

IUPAC2-(5-fluoro-2-iodooxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(F)ccc1OI
InChIInChI=1S/C8H6FIO3/c9-6-1-2-7(13-10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKeyRIVGNCDFKBDDIY-UHFFFAOYSA-N
MW296.04 g/mol
LogP2.18
Rot. Bonds3

About 2-(5-fluoro-2-iodooxyphenyl)acetic acid

2-(5-fluoro-2-iodooxyphenyl)acetic acid (PubChem CID 174319514) has the molecular formula C8H6FIO3 and a molecular weight of 296.04 g/mol. Its IUPAC name is 2-(5-fluoro-2-iodooxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-iodooxyphenyl)acetic acid
PubChem CID174319514
Molecular FormulaC8H6FIO3
Molecular Weight296.04 g/mol
Exact Mass295.93
IUPAC Name2-(5-fluoro-2-iodooxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(F)ccc1OI
InChIInChI=1S/C8H6FIO3/c9-6-1-2-7(13-10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKeyRIVGNCDFKBDDIY-UHFFFAOYSA-N
XLogP2.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.04
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-hydroxy-2-iodooxyphenyl)acetic acid
CID 174312460
2-[5-fluoro-2-(iodomethyl)phenyl]acetic acid
CID 91883853
2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid
CID 141066600
2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82297374
3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid
CID 91883856
4-[(5-fluoro-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 94691306
2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid
CID 146168544
2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid
CID 162623487
2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 105344812
3-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 60988210
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
2-(5-fluoro-2-sulfamoylphenyl)acetic acid
CID 141356629

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-iodooxyphenyl)acetic acid?
The IUPAC name of 2-(5-fluoro-2-iodooxyphenyl)acetic acid (CID 174319514) is 2-(5-fluoro-2-iodooxyphenyl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2-iodooxyphenyl)acetic acid?
The canonical SMILES for 2-(5-fluoro-2-iodooxyphenyl)acetic acid is O=C(O)Cc1cc(F)ccc1OI.
What is the InChIKey of 2-(5-fluoro-2-iodooxyphenyl)acetic acid?
The InChIKey is RIVGNCDFKBDDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FIO3/c9-6-1-2-7(13-10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12).
What are the key properties of 2-(5-fluoro-2-iodooxyphenyl)acetic acid?
2-(5-fluoro-2-iodooxyphenyl)acetic acid has a molecular weight of 296.04 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-iodooxyphenyl)acetic acid is sourced from PubChem (CID 174319514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).