[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate

C8F14O6 — CID 129405214

IUPAC[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate
SMILESO=C(OOC(=O)[C@@](F)(OC(F)(F)F)C(F)(F)F)[C@@](F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8F14O6/c9-3(5(11,12)13,27-7(17,18)19)1(23)25-26-2(24)4(10,6(14,15)16)28-8(20,21)22/t3-,4-/m1/s1
InChIKeyYPISTIQOQNFKKA-QWWZWVQMSA-N
MW458.05 g/mol
LogP3.52
Rot. Bonds4

About [(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate

[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate (PubChem CID 129405214) has the molecular formula C8F14O6 and a molecular weight of 458.05 g/mol. Its IUPAC name is [(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate.

Molecular Properties

Compound Name[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate
PubChem CID129405214
Molecular FormulaC8F14O6
Molecular Weight458.05 g/mol
Exact Mass457.95
IUPAC Name[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate
SMILESO=C(OOC(=O)[C@@](F)(OC(F)(F)F)C(F)(F)F)[C@@](F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8F14O6/c9-3(5(11,12)13,27-7(17,18)19)1(23)25-26-2(24)4(10,6(14,15)16)28-8(20,21)22/t3-,4-/m1/s1
InChIKeyYPISTIQOQNFKKA-QWWZWVQMSA-N
XLogP3.52
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.05
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

methyl 2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoate
CID 11739882
[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propyl] 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 11548624
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid
CID 87119578
3,3-dimethylbutan-2-yl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 71673102
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononaneperoxoate
CID 15687701
[(2R)-butan-2-yl] (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 162813300
butan-2-yl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 10134714
[(2R)-butan-2-yl] (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 162813297
2,2,2-trifluoroethyl (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 162982682
3-methylbutyl (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 163073084
propan-2-yl (2R)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate
CID 162802420
propan-2-yl (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate
CID 162802421

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate?
The IUPAC name of [(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate (CID 129405214) is [(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate.
What is the SMILES notation for [(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate?
The canonical SMILES for [(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate is O=C(OOC(=O)[C@@](F)(OC(F)(F)F)C(F)(F)F)[C@@](F)(OC(F)(F)F)C(F)(F)F.
What is the InChIKey of [(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate?
The InChIKey is YPISTIQOQNFKKA-QWWZWVQMSA-N. The full InChI is InChI=1S/C8F14O6/c9-3(5(11,12)13,27-7(17,18)19)1(23)25-26-2(24)4(10,6(14,15)16)28-8(20,21)22/t3-,4-/m1/s1.
What are the key properties of [(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate?
[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate has a molecular weight of 458.05 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate is sourced from PubChem (CID 129405214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).