1,2,2,3,3,4,4,5,5,6,6-undecafluorohexyl hypofluorite

C6H2F12O — CID 20600107

IUPAC1,2,2,3,3,4,4,5,5,6,6-undecafluorohexyl hypofluorite
SMILESFOC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H2F12O/c7-1(8)3(10,11)5(14,15)6(16,17)4(12,13)2(9)19-18/h1-2H
InChIKeyKBUXNQZYOYQUIQ-UHFFFAOYSA-N
MW318.06 g/mol
LogP3.99
Rot. Bonds6

About 1,2,2,3,3,4,4,5,5,6,6-undecafluorohexyl hypofluorite

1,2,2,3,3,4,4,5,5,6,6-undecafluorohexyl hypofluorite (PubChem CID 20600107) has the molecular formula C6H2F12O and a molecular weight of 318.06 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6-undecafluorohexyl hypofluorite.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6-undecafluorohexyl hypofluorite
PubChem CID20600107
Molecular FormulaC6H2F12O
Molecular Weight318.06 g/mol
Exact Mass317.99
IUPAC Name1,2,2,3,3,4,4,5,5,6,6-undecafluorohexyl hypofluorite
SMILESFOC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H2F12O/c7-1(8)3(10,11)5(14,15)6(16,17)4(12,13)2(9)19-18/h1-2H
InChIKeyKBUXNQZYOYQUIQ-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.06
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,2,2,3,3,4,4,5,5,6,6-undecafluorohexyl hypofluorite?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluorohexyl hypofluorite (CID 20600107) is 1,2,2,3,3,4,4,5,5,6,6-undecafluorohexyl hypofluorite.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6-undecafluorohexyl hypofluorite?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6-undecafluorohexyl hypofluorite is FOC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6-undecafluorohexyl hypofluorite?
The InChIKey is KBUXNQZYOYQUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F12O/c7-1(8)3(10,11)5(14,15)6(16,17)4(12,13)2(9)19-18/h1-2H.
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6-undecafluorohexyl hypofluorite?
1,2,2,3,3,4,4,5,5,6,6-undecafluorohexyl hypofluorite has a molecular weight of 318.06 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6-undecafluorohexyl hypofluorite is sourced from PubChem (CID 20600107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).