(1,1,2,2,3,3-hexafluoro-3-methoxypropyl) hypofluorite

C4H3F7O2 — CID 59010325

IUPAC(1,1,2,2,3,3-hexafluoro-3-methoxypropyl) hypofluorite
SMILESCOC(F)(F)C(F)(F)C(F)(F)OF
InChIInChI=1S/C4H3F7O2/c1-12-3(7,8)2(5,6)4(9,10)13-11/h1H3
InChIKeyYTPALHVEDGFNTG-UHFFFAOYSA-N
MW216.05 g/mol
LogP2.35
Rot. Bonds4

About (1,1,2,2,3,3-hexafluoro-3-methoxypropyl) hypofluorite

(1,1,2,2,3,3-hexafluoro-3-methoxypropyl) hypofluorite (PubChem CID 59010325) has the molecular formula C4H3F7O2 and a molecular weight of 216.05 g/mol. Its IUPAC name is (1,1,2,2,3,3-hexafluoro-3-methoxypropyl) hypofluorite.

Molecular Properties

Compound Name(1,1,2,2,3,3-hexafluoro-3-methoxypropyl) hypofluorite
PubChem CID59010325
Molecular FormulaC4H3F7O2
Molecular Weight216.05 g/mol
Exact Mass216.00
IUPAC Name(1,1,2,2,3,3-hexafluoro-3-methoxypropyl) hypofluorite
SMILESCOC(F)(F)C(F)(F)C(F)(F)OF
InChIInChI=1S/C4H3F7O2/c1-12-3(7,8)2(5,6)4(9,10)13-11/h1H3
InChIKeyYTPALHVEDGFNTG-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.05
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,1,2,2,3,3-hexafluoro-3-methoxypropyl) hypofluorite?
The IUPAC name of (1,1,2,2,3,3-hexafluoro-3-methoxypropyl) hypofluorite (CID 59010325) is (1,1,2,2,3,3-hexafluoro-3-methoxypropyl) hypofluorite.
What is the SMILES notation for (1,1,2,2,3,3-hexafluoro-3-methoxypropyl) hypofluorite?
The canonical SMILES for (1,1,2,2,3,3-hexafluoro-3-methoxypropyl) hypofluorite is COC(F)(F)C(F)(F)C(F)(F)OF.
What is the InChIKey of (1,1,2,2,3,3-hexafluoro-3-methoxypropyl) hypofluorite?
The InChIKey is YTPALHVEDGFNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F7O2/c1-12-3(7,8)2(5,6)4(9,10)13-11/h1H3.
What are the key properties of (1,1,2,2,3,3-hexafluoro-3-methoxypropyl) hypofluorite?
(1,1,2,2,3,3-hexafluoro-3-methoxypropyl) hypofluorite has a molecular weight of 216.05 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,2,2,3,3-hexafluoro-3-methoxypropyl) hypofluorite is sourced from PubChem (CID 59010325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).