(6,7,7,8,8,8-hexafluoro-5-hydroxy-2,2-dimethyloctan-3-yl) hypofluorite

C10H15F7O2 — CID 87823826

IUPAC(6,7,7,8,8,8-hexafluoro-5-hydroxy-2,2-dimethyloctan-3-yl) hypofluorite
SMILESCC(C)(C)C(CC(O)C(F)C(F)(F)C(F)(F)F)OF
InChIInChI=1S/C10H15F7O2/c1-8(2,3)6(19-17)4-5(18)7(11)9(12,13)10(14,15)16/h5-7,18H,4H2,1-3H3
InChIKeyFQADZQBRAWPLCN-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.59
Rot. Bonds5

About (6,7,7,8,8,8-hexafluoro-5-hydroxy-2,2-dimethyloctan-3-yl) hypofluorite

(6,7,7,8,8,8-hexafluoro-5-hydroxy-2,2-dimethyloctan-3-yl) hypofluorite (PubChem CID 87823826) has the molecular formula C10H15F7O2 and a molecular weight of 300.21 g/mol. Its IUPAC name is (6,7,7,8,8,8-hexafluoro-5-hydroxy-2,2-dimethyloctan-3-yl) hypofluorite.

Molecular Properties

Compound Name(6,7,7,8,8,8-hexafluoro-5-hydroxy-2,2-dimethyloctan-3-yl) hypofluorite
PubChem CID87823826
Molecular FormulaC10H15F7O2
Molecular Weight300.21 g/mol
Exact Mass300.10
IUPAC Name(6,7,7,8,8,8-hexafluoro-5-hydroxy-2,2-dimethyloctan-3-yl) hypofluorite
SMILESCC(C)(C)C(CC(O)C(F)C(F)(F)C(F)(F)F)OF
InChIInChI=1S/C10H15F7O2/c1-8(2,3)6(19-17)4-5(18)7(11)9(12,13)10(14,15)16/h5-7,18H,4H2,1-3H3
InChIKeyFQADZQBRAWPLCN-UHFFFAOYSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.59
H-Bond Donors ≤ 51
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 (6,7,7,8,8,8-hexafluoro-5-hydroxy-2,2-dimethyloctan-3-yl) hypofluorite?
The IUPAC name of (6,7,7,8,8,8-hexafluoro-5-hydroxy-2,2-dimethyloctan-3-yl) hypofluorite (CID 87823826) is (6,7,7,8,8,8-hexafluoro-5-hydroxy-2,2-dimethyloctan-3-yl) hypofluorite.
What is the SMILES notation for (6,7,7,8,8,8-hexafluoro-5-hydroxy-2,2-dimethyloctan-3-yl) hypofluorite?
The canonical SMILES for (6,7,7,8,8,8-hexafluoro-5-hydroxy-2,2-dimethyloctan-3-yl) hypofluorite is CC(C)(C)C(CC(O)C(F)C(F)(F)C(F)(F)F)OF.
What is the InChIKey of (6,7,7,8,8,8-hexafluoro-5-hydroxy-2,2-dimethyloctan-3-yl) hypofluorite?
The InChIKey is FQADZQBRAWPLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F7O2/c1-8(2,3)6(19-17)4-5(18)7(11)9(12,13)10(14,15)16/h5-7,18H,4H2,1-3H3.
What are the key properties of (6,7,7,8,8,8-hexafluoro-5-hydroxy-2,2-dimethyloctan-3-yl) hypofluorite?
(6,7,7,8,8,8-hexafluoro-5-hydroxy-2,2-dimethyloctan-3-yl) hypofluorite has a molecular weight of 300.21 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7,7,8,8,8-hexafluoro-5-hydroxy-2,2-dimethyloctan-3-yl) hypofluorite is sourced from PubChem (CID 87823826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).