1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane

C5F11IO — CID 96560026

IUPAC1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane
SMILESFC(F)(F)C(F)(F)C(F)(F)O[C@@](F)(I)C(F)(F)F
InChIInChI=1S/C5F11IO/c6-1(7,2(8,9)10)4(14,15)18-5(16,17)3(11,12)13/t5-/m0/s1
InChIKeyWXGLHUFWWLOFCN-YFKPBYRVSA-N
MW411.94 g/mol
LogP4.41
Rot. Bonds3

About 1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane

1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane (PubChem CID 96560026) has the molecular formula C5F11IO and a molecular weight of 411.94 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane
PubChem CID96560026
Molecular FormulaC5F11IO
Molecular Weight411.94 g/mol
Exact Mass411.88
IUPAC Name1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane
SMILESFC(F)(F)C(F)(F)C(F)(F)O[C@@](F)(I)C(F)(F)F
InChIInChI=1S/C5F11IO/c6-1(7,2(8,9)10)4(14,15)18-5(16,17)3(11,12)13/t5-/m0/s1
InChIKeyWXGLHUFWWLOFCN-YFKPBYRVSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 54.41
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

1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)propan-2-yl]oxypropane
CID 101149053
1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)propane
CID 14365945
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10968705
1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
CID 59685373
1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)-2-(trifluoromethoxy)propane
CID 169224794
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane
CID 160879773
(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanenitrile
CID 98460781
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-10-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecoxy)decane
CID 18625066
[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl] hypofluorite
CID 170110314
1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butane
CID 11325674
(2S)-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylpropan-1-ol
CID 98117480
1,1,2,2,3,3,4,4-octafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]pentane
CID 173336880

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane (CID 96560026) is 1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane is FC(F)(F)C(F)(F)C(F)(F)O[C@@](F)(I)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane?
The InChIKey is WXGLHUFWWLOFCN-YFKPBYRVSA-N. The full InChI is InChI=1S/C5F11IO/c6-1(7,2(8,9)10)4(14,15)18-5(16,17)3(11,12)13/t5-/m0/s1.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane?
1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane has a molecular weight of 411.94 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane is sourced from PubChem (CID 96560026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).