1,1,1,2,3,3,4,4-octafluoropentan-2-yl hypoiodite

C5H3F8IO — CID 122591436

IUPAC1,1,1,2,3,3,4,4-octafluoropentan-2-yl hypoiodite
SMILESCC(F)(F)C(F)(F)C(F)(OI)C(F)(F)F
InChIInChI=1S/C5H3F8IO/c1-2(6,7)3(8,9)4(10,15-14)5(11,12)13/h1H3
InChIKeyJGCVHERXJAFRKM-UHFFFAOYSA-N
MW357.97 g/mol
LogP3.87
Rot. Bonds3

About 1,1,1,2,3,3,4,4-octafluoropentan-2-yl hypoiodite

1,1,1,2,3,3,4,4-octafluoropentan-2-yl hypoiodite (PubChem CID 122591436) has the molecular formula C5H3F8IO and a molecular weight of 357.97 g/mol. Its IUPAC name is 1,1,1,2,3,3,4,4-octafluoropentan-2-yl hypoiodite.

Molecular Properties

Compound Name1,1,1,2,3,3,4,4-octafluoropentan-2-yl hypoiodite
PubChem CID122591436
Molecular FormulaC5H3F8IO
Molecular Weight357.97 g/mol
Exact Mass357.91
IUPAC Name1,1,1,2,3,3,4,4-octafluoropentan-2-yl hypoiodite
SMILESCC(F)(F)C(F)(F)C(F)(OI)C(F)(F)F
InChIInChI=1S/C5H3F8IO/c1-2(6,7)3(8,9)4(10,15-14)5(11,12)13/h1H3
InChIKeyJGCVHERXJAFRKM-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.97
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3,4,5,5-Decafluoro-4-(trifluoromethoxy)pentane
CID 54114423
2,3,3,4,4,4-Hexafluorobutan-2-yl hypoiodite
CID 122591444
1,1,2,2-Tetrafluorobutyl hypoiodite
CID 122591445

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,4,4-octafluoropentan-2-yl hypoiodite?
The IUPAC name of 1,1,1,2,3,3,4,4-octafluoropentan-2-yl hypoiodite (CID 122591436) is 1,1,1,2,3,3,4,4-octafluoropentan-2-yl hypoiodite.
What is the SMILES notation for 1,1,1,2,3,3,4,4-octafluoropentan-2-yl hypoiodite?
The canonical SMILES for 1,1,1,2,3,3,4,4-octafluoropentan-2-yl hypoiodite is CC(F)(F)C(F)(F)C(F)(OI)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,4,4-octafluoropentan-2-yl hypoiodite?
The InChIKey is JGCVHERXJAFRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F8IO/c1-2(6,7)3(8,9)4(10,15-14)5(11,12)13/h1H3.
What are the key properties of 1,1,1,2,3,3,4,4-octafluoropentan-2-yl hypoiodite?
1,1,1,2,3,3,4,4-octafluoropentan-2-yl hypoiodite has a molecular weight of 357.97 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,4,4-octafluoropentan-2-yl hypoiodite is sourced from PubChem (CID 122591436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).