2-fluoro-2-iodopropanedioic acid

C3H2FIO4 — CID 23035987

IUPAC2-fluoro-2-iodopropanedioic acid
SMILESO=C(O)C(F)(I)C(=O)O
InChIInChI=1S/C3H2FIO4/c4-3(5,1(6)7)2(8)9/h(H,6,7)(H,8,9)
InChIKeyQOWNUXULYINNBF-UHFFFAOYSA-N
MW247.95 g/mol
LogP0.26
Rot. Bonds2

About 2-fluoro-2-iodopropanedioic acid

2-fluoro-2-iodopropanedioic acid (PubChem CID 23035987) has the molecular formula C3H2FIO4 and a molecular weight of 247.95 g/mol. Its IUPAC name is 2-fluoro-2-iodopropanedioic acid.

Molecular Properties

Compound Name2-fluoro-2-iodopropanedioic acid
PubChem CID23035987
Molecular FormulaC3H2FIO4
Molecular Weight247.95 g/mol
Exact Mass247.90
IUPAC Name2-fluoro-2-iodopropanedioic acid
SMILESO=C(O)C(F)(I)C(=O)O
InChIInChI=1S/C3H2FIO4/c4-3(5,1(6)7)2(8)9/h(H,6,7)(H,8,9)
InChIKeyQOWNUXULYINNBF-UHFFFAOYSA-N
XLogP0.26
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.95
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-2,3-diiodopropanoic acid
CID 129231001
2,2,3,4,4,4-hexafluoro-3-iodobutanoic acid
CID 19898069
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
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
bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
CID 157338255
CID 159010746
CID 159010746
magnesium;hydride;tris(2,2,2-trifluoroacetic acid)
CID 173424393

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-iodopropanedioic acid?
The IUPAC name of 2-fluoro-2-iodopropanedioic acid (CID 23035987) is 2-fluoro-2-iodopropanedioic acid.
What is the SMILES notation for 2-fluoro-2-iodopropanedioic acid?
The canonical SMILES for 2-fluoro-2-iodopropanedioic acid is O=C(O)C(F)(I)C(=O)O.
What is the InChIKey of 2-fluoro-2-iodopropanedioic acid?
The InChIKey is QOWNUXULYINNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2FIO4/c4-3(5,1(6)7)2(8)9/h(H,6,7)(H,8,9).
What are the key properties of 2-fluoro-2-iodopropanedioic acid?
2-fluoro-2-iodopropanedioic acid has a molecular weight of 247.95 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-iodopropanedioic acid is sourced from PubChem (CID 23035987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).