2,2,3,4,4,4-hexafluoro-3-iodobutanoic acid

C4HF6IO2 — CID 19898069

IUPAC2,2,3,4,4,4-hexafluoro-3-iodobutanoic acid
SMILESO=C(O)C(F)(F)C(F)(I)C(F)(F)F
InChIInChI=1S/C4HF6IO2/c5-2(6,1(12)13)3(7,11)4(8,9)10/h(H,12,13)
InChIKeyFJVQAVKFKLASHY-UHFFFAOYSA-N
MW321.94 g/mol
LogP2.37
Rot. Bonds2

About 2,2,3,4,4,4-hexafluoro-3-iodobutanoic acid

2,2,3,4,4,4-hexafluoro-3-iodobutanoic acid (PubChem CID 19898069) has the molecular formula C4HF6IO2 and a molecular weight of 321.94 g/mol. Its IUPAC name is 2,2,3,4,4,4-hexafluoro-3-iodobutanoic acid.

Molecular Properties

Compound Name2,2,3,4,4,4-hexafluoro-3-iodobutanoic acid
PubChem CID19898069
Molecular FormulaC4HF6IO2
Molecular Weight321.94 g/mol
Exact Mass321.89
IUPAC Name2,2,3,4,4,4-hexafluoro-3-iodobutanoic acid
SMILESO=C(O)C(F)(F)C(F)(I)C(F)(F)F
InChIInChI=1S/C4HF6IO2/c5-2(6,1(12)13)3(7,11)4(8,9)10/h(H,12,13)
InChIKeyFJVQAVKFKLASHY-UHFFFAOYSA-N
XLogP2.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.94
LogP ≤ 52.37
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

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CID 71650614
strontium;hydride;2,2,3,3,3-pentafluoropropanoic acid
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2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid
CID 4118201
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CID 165363579
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid;hydrochloride
CID 162574221
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silver;2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid
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methanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid
CID 175541225
chromium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid
CID 87460602
CID 87771874
CID 87771874

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,4-hexafluoro-3-iodobutanoic acid?
The IUPAC name of 2,2,3,4,4,4-hexafluoro-3-iodobutanoic acid (CID 19898069) is 2,2,3,4,4,4-hexafluoro-3-iodobutanoic acid.
What is the SMILES notation for 2,2,3,4,4,4-hexafluoro-3-iodobutanoic acid?
The canonical SMILES for 2,2,3,4,4,4-hexafluoro-3-iodobutanoic acid is O=C(O)C(F)(F)C(F)(I)C(F)(F)F.
What is the InChIKey of 2,2,3,4,4,4-hexafluoro-3-iodobutanoic acid?
The InChIKey is FJVQAVKFKLASHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF6IO2/c5-2(6,1(12)13)3(7,11)4(8,9)10/h(H,12,13).
What are the key properties of 2,2,3,4,4,4-hexafluoro-3-iodobutanoic acid?
2,2,3,4,4,4-hexafluoro-3-iodobutanoic acid has a molecular weight of 321.94 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,4-hexafluoro-3-iodobutanoic acid is sourced from PubChem (CID 19898069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).