2-fluoro-2,3-diiodopropanoic acid

C3H3FI2O2 — CID 129231001

IUPAC2-fluoro-2,3-diiodopropanoic acid
SMILESO=C(O)C(F)(I)CI
InChIInChI=1S/C3H3FI2O2/c4-3(6,1-5)2(7)8/h1H2,(H,7,8)
InChIKeyJKNPIXLIVCZIEE-UHFFFAOYSA-N
MW343.86 g/mol
LogP1.61
Rot. Bonds2

About 2-fluoro-2,3-diiodopropanoic acid

2-fluoro-2,3-diiodopropanoic acid (PubChem CID 129231001) has the molecular formula C3H3FI2O2 and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-fluoro-2,3-diiodopropanoic acid.

Molecular Properties

Compound Name2-fluoro-2,3-diiodopropanoic acid
PubChem CID129231001
Molecular FormulaC3H3FI2O2
Molecular Weight343.86 g/mol
Exact Mass343.82
IUPAC Name2-fluoro-2,3-diiodopropanoic acid
SMILESO=C(O)C(F)(I)CI
InChIInChI=1S/C3H3FI2O2/c4-3(6,1-5)2(7)8/h1H2,(H,7,8)
InChIKeyJKNPIXLIVCZIEE-UHFFFAOYSA-N
XLogP1.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-2-iodopropanedioic acid
CID 23035987
2,2,3,4,4,4-hexafluoro-3-iodobutanoic acid
CID 19898069
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
2,2-difluoropropanedioic acid
CID 10130002
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820
magnesium;hydride;tris(2,2,2-trifluoroacetic acid)
CID 173424393
magnesium;hydride;bis(2,2,2-trifluoroacetic acid)
CID 173420344

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,3-diiodopropanoic acid?
The IUPAC name of 2-fluoro-2,3-diiodopropanoic acid (CID 129231001) is 2-fluoro-2,3-diiodopropanoic acid.
What is the SMILES notation for 2-fluoro-2,3-diiodopropanoic acid?
The canonical SMILES for 2-fluoro-2,3-diiodopropanoic acid is O=C(O)C(F)(I)CI.
What is the InChIKey of 2-fluoro-2,3-diiodopropanoic acid?
The InChIKey is JKNPIXLIVCZIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FI2O2/c4-3(6,1-5)2(7)8/h1H2,(H,7,8).
What are the key properties of 2-fluoro-2,3-diiodopropanoic acid?
2-fluoro-2,3-diiodopropanoic acid has a molecular weight of 343.86 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,3-diiodopropanoic acid is sourced from PubChem (CID 129231001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).