[1,1,2,3,3-pentafluoro-1-fluorooxy-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite

C13F22O3 — CID 87307349

IUPAC[1,1,2,3,3-pentafluoro-1-fluorooxy-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite
SMILESFOC(F)(F)C(F)(OF)C(F)(F)OC1(F)C2(F)C(F)(F)C3(F)C(F)(F)C(F)(C2(F)F)C(F)(F)C1(F)C3(F)F
InChIInChI=1S/C13F22O3/c14-1-5(18,19)2(15)8(24,25)3(16,6(1,20)21)10(28,4(17,7(1,22)23)9(2,26)27)36-12(30,31)11(29,37-34)13(32,33)38-35
InChIKeyWWYSJYDVDRPTKD-UHFFFAOYSA-N
MW622.10 g/mol
LogP6.37
Rot. Bonds6

About [1,1,2,3,3-pentafluoro-1-fluorooxy-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite

[1,1,2,3,3-pentafluoro-1-fluorooxy-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite (PubChem CID 87307349) has the molecular formula C13F22O3 and a molecular weight of 622.10 g/mol. Its IUPAC name is [1,1,2,3,3-pentafluoro-1-fluorooxy-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite.

Molecular Properties

Compound Name[1,1,2,3,3-pentafluoro-1-fluorooxy-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite
PubChem CID87307349
Molecular FormulaC13F22O3
Molecular Weight622.10 g/mol
Exact Mass621.95
IUPAC Name[1,1,2,3,3-pentafluoro-1-fluorooxy-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite
SMILESFOC(F)(F)C(F)(OF)C(F)(F)OC1(F)C2(F)C(F)(F)C3(F)C(F)(F)C(F)(C2(F)F)C(F)(F)C1(F)C3(F)F
InChIInChI=1S/C13F22O3/c14-1-5(18,19)2(15)8(24,25)3(16,6(1,20)21)10(28,4(17,7(1,22)23)9(2,26)27)36-12(30,31)11(29,37-34)13(32,33)38-35
InChIKeyWWYSJYDVDRPTKD-UHFFFAOYSA-N
XLogP6.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.10
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1,1,2,3,3-pentafluoro-1-fluorooxy-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1,1,2,3,3-pentafluoro-1-fluorooxy-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite?
The IUPAC name of [1,1,2,3,3-pentafluoro-1-fluorooxy-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite (CID 87307349) is [1,1,2,3,3-pentafluoro-1-fluorooxy-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite.
What is the SMILES notation for [1,1,2,3,3-pentafluoro-1-fluorooxy-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite?
The canonical SMILES for [1,1,2,3,3-pentafluoro-1-fluorooxy-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite is FOC(F)(F)C(F)(OF)C(F)(F)OC1(F)C2(F)C(F)(F)C3(F)C(F)(F)C(F)(C2(F)F)C(F)(F)C1(F)C3(F)F.
What is the InChIKey of [1,1,2,3,3-pentafluoro-1-fluorooxy-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite?
The InChIKey is WWYSJYDVDRPTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13F22O3/c14-1-5(18,19)2(15)8(24,25)3(16,6(1,20)21)10(28,4(17,7(1,22)23)9(2,26)27)36-12(30,31)11(29,37-34)13(32,33)38-35.
What are the key properties of [1,1,2,3,3-pentafluoro-1-fluorooxy-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite?
[1,1,2,3,3-pentafluoro-1-fluorooxy-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite has a molecular weight of 622.10 g/mol, XLogP of 6.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2,3,3-pentafluoro-1-fluorooxy-3-[(1,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-2-adamantyl)oxy]propan-2-yl] hypofluorite is sourced from PubChem (CID 87307349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).