2,2,3,3,4,4,5,5-octafluorohexyl (2-oxo-1,3-dioxolan-4-yl)methyl carbonate

C11H10F8O6 — CID 122607496

IUPAC2,2,3,3,4,4,5,5-octafluorohexyl (2-oxo-1,3-dioxolan-4-yl)methyl carbonate
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)OCC1COC(=O)O1
InChIInChI=1S/C11H10F8O6/c1-8(12,13)10(16,17)11(18,19)9(14,15)4-24-6(20)22-2-5-3-23-7(21)25-5/h5H,2-4H2,1H3
InChIKeyKTDPWINLTBHNQC-UHFFFAOYSA-N
MW390.18 g/mol
LogP3.24
Rot. Bonds7

About 2,2,3,3,4,4,5,5-octafluorohexyl (2-oxo-1,3-dioxolan-4-yl)methyl carbonate

2,2,3,3,4,4,5,5-octafluorohexyl (2-oxo-1,3-dioxolan-4-yl)methyl carbonate (PubChem CID 122607496) has the molecular formula C11H10F8O6 and a molecular weight of 390.18 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluorohexyl (2-oxo-1,3-dioxolan-4-yl)methyl carbonate.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluorohexyl (2-oxo-1,3-dioxolan-4-yl)methyl carbonate
PubChem CID122607496
Molecular FormulaC11H10F8O6
Molecular Weight390.18 g/mol
Exact Mass390.03
IUPAC Name2,2,3,3,4,4,5,5-octafluorohexyl (2-oxo-1,3-dioxolan-4-yl)methyl carbonate
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)OCC1COC(=O)O1
InChIInChI=1S/C11H10F8O6/c1-8(12,13)10(16,17)11(18,19)9(14,15)4-24-6(20)22-2-5-3-23-7(21)25-5/h5H,2-4H2,1H3
InChIKeyKTDPWINLTBHNQC-UHFFFAOYSA-N
XLogP3.24
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.18
LogP ≤ 53.24
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 2,2,3,3,4,4,5,5-octafluorohexyl (2-oxo-1,3-dioxolan-4-yl)methyl carbonate?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluorohexyl (2-oxo-1,3-dioxolan-4-yl)methyl carbonate (CID 122607496) is 2,2,3,3,4,4,5,5-octafluorohexyl (2-oxo-1,3-dioxolan-4-yl)methyl carbonate.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluorohexyl (2-oxo-1,3-dioxolan-4-yl)methyl carbonate?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluorohexyl (2-oxo-1,3-dioxolan-4-yl)methyl carbonate is CC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)OCC1COC(=O)O1.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluorohexyl (2-oxo-1,3-dioxolan-4-yl)methyl carbonate?
The InChIKey is KTDPWINLTBHNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F8O6/c1-8(12,13)10(16,17)11(18,19)9(14,15)4-24-6(20)22-2-5-3-23-7(21)25-5/h5H,2-4H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5-octafluorohexyl (2-oxo-1,3-dioxolan-4-yl)methyl carbonate?
2,2,3,3,4,4,5,5-octafluorohexyl (2-oxo-1,3-dioxolan-4-yl)methyl carbonate has a molecular weight of 390.18 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluorohexyl (2-oxo-1,3-dioxolan-4-yl)methyl carbonate is sourced from PubChem (CID 122607496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).