2,2,3,3,4,4,5-heptafluoro-5-iodooxolane

C4F7IO — CID 71417311

IUPAC2,2,3,3,4,4,5-heptafluoro-5-iodooxolane
SMILESFC1(F)OC(F)(I)C(F)(F)C1(F)F
InChIInChI=1S/C4F7IO/c5-1(6)2(7,8)4(11,12)13-3(1,9)10
InChIKeyDVZMHVZLRXYZLF-UHFFFAOYSA-N
MW323.93 g/mol
LogP2.94
Rot. Bonds

About 2,2,3,3,4,4,5-heptafluoro-5-iodooxolane

2,2,3,3,4,4,5-heptafluoro-5-iodooxolane (PubChem CID 71417311) has the molecular formula C4F7IO and a molecular weight of 323.93 g/mol. Its IUPAC name is 2,2,3,3,4,4,5-heptafluoro-5-iodooxolane.

Molecular Properties

Compound Name2,2,3,3,4,4,5-heptafluoro-5-iodooxolane
PubChem CID71417311
Molecular FormulaC4F7IO
Molecular Weight323.93 g/mol
Exact Mass323.89
IUPAC Name2,2,3,3,4,4,5-heptafluoro-5-iodooxolane
SMILESFC1(F)OC(F)(I)C(F)(F)C1(F)F
InChIInChI=1S/C4F7IO/c5-1(6)2(7,8)4(11,12)13-3(1,9)10
InChIKeyDVZMHVZLRXYZLF-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.93
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane
CID 22497786
(2,3,3,4,4,5,5,6,6-nonafluorooxan-2-yl)silane
CID 173148599
methane;2,2,3,3-tetrafluorooxirane
CID 174885785
2,2,3,3,4,4,5-heptafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane
CID 19026789
2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,2-pentafluoroethyl)oxane
CID 12596606
(5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
CID 95054915
2,2,3-trifluoro-3-methyloxirane
CID 22289961
2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride
CID 11403631
(1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
CID 14892283
(1S,15S)-1,3,3,4,4,6,6,7,7,9,9,10,10,12,12,13,13,15,16,16,17,17,18,18,19,19-hexacosafluoro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane
CID 14921076
2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane
CID 71396792
2,2,4,4,5,5,7,7,8,8,10,10,11,11,13,13,14,14,16,16,17,17,19,19,20,20-hexacosafluoro-1,3,6,9,12,15,18-heptaoxacycloicosane
CID 86282027

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5-heptafluoro-5-iodooxolane?
The IUPAC name of 2,2,3,3,4,4,5-heptafluoro-5-iodooxolane (CID 71417311) is 2,2,3,3,4,4,5-heptafluoro-5-iodooxolane.
What is the SMILES notation for 2,2,3,3,4,4,5-heptafluoro-5-iodooxolane?
The canonical SMILES for 2,2,3,3,4,4,5-heptafluoro-5-iodooxolane is FC1(F)OC(F)(I)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5-heptafluoro-5-iodooxolane?
The InChIKey is DVZMHVZLRXYZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F7IO/c5-1(6)2(7,8)4(11,12)13-3(1,9)10.
What are the key properties of 2,2,3,3,4,4,5-heptafluoro-5-iodooxolane?
2,2,3,3,4,4,5-heptafluoro-5-iodooxolane has a molecular weight of 323.93 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5-heptafluoro-5-iodooxolane is sourced from PubChem (CID 71417311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).