(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-methoxycarbonyloxyhexyl) methyl carbonate

C10H6F12O6 — CID 547817

IUPAC(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-methoxycarbonyloxyhexyl) methyl carbonate
SMILESCOC(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(=O)OC
InChIInChI=1S/C10H6F12O6/c1-25-3(23)27-9(19,20)7(15,16)5(11,12)6(13,14)8(17,18)10(21,22)28-4(24)26-2/h1-2H3
InChIKeyNGLFQJITJRDNEI-UHFFFAOYSA-N
MW450.13 g/mol
LogP4.28
Rot. Bonds7

About (1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-methoxycarbonyloxyhexyl) methyl carbonate

(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-methoxycarbonyloxyhexyl) methyl carbonate (PubChem CID 547817) has the molecular formula C10H6F12O6 and a molecular weight of 450.13 g/mol. Its IUPAC name is (1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-methoxycarbonyloxyhexyl) methyl carbonate.

Molecular Properties

Compound Name(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-methoxycarbonyloxyhexyl) methyl carbonate
PubChem CID547817
Molecular FormulaC10H6F12O6
Molecular Weight450.13 g/mol
Exact Mass450.00
IUPAC Name(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-methoxycarbonyloxyhexyl) methyl carbonate
SMILESCOC(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(=O)OC
InChIInChI=1S/C10H6F12O6/c1-25-3(23)27-9(19,20)7(15,16)5(11,12)6(13,14)8(17,18)10(21,22)28-4(24)26-2/h1-2H3
InChIKeyNGLFQJITJRDNEI-UHFFFAOYSA-N
XLogP4.28
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.13
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-methoxycarbonyloxyhexyl) methyl carbonate?
The IUPAC name of (1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-methoxycarbonyloxyhexyl) methyl carbonate (CID 547817) is (1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-methoxycarbonyloxyhexyl) methyl carbonate.
What is the SMILES notation for (1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-methoxycarbonyloxyhexyl) methyl carbonate?
The canonical SMILES for (1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-methoxycarbonyloxyhexyl) methyl carbonate is COC(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(=O)OC.
What is the InChIKey of (1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-methoxycarbonyloxyhexyl) methyl carbonate?
The InChIKey is NGLFQJITJRDNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F12O6/c1-25-3(23)27-9(19,20)7(15,16)5(11,12)6(13,14)8(17,18)10(21,22)28-4(24)26-2/h1-2H3.
What are the key properties of (1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-methoxycarbonyloxyhexyl) methyl carbonate?
(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-methoxycarbonyloxyhexyl) methyl carbonate has a molecular weight of 450.13 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-methoxycarbonyloxyhexyl) methyl carbonate is sourced from PubChem (CID 547817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).