(2S)-1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[(1R)-1,2,2,2-tetrafluoroethoxy]propane

C8HF17O2 — CID 97290986

IUPAC(2S)-1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[(1R)-1,2,2,2-tetrafluoroethoxy]propane
SMILESF[C@@H](OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8HF17O2/c9-1(2(10,11)12)26-8(24,25)4(15,6(19,20)21)27-7(22,23)3(13,14)5(16,17)18/h1H/t1-,4-/m0/s1
InChIKeyPYSYKOPZHYNYSZ-KQVAGGMYSA-N
MW452.06 g/mol
LogP5.49
Rot. Bonds6

About (2S)-1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[(1R)-1,2,2,2-tetrafluoroethoxy]propane

(2S)-1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[(1R)-1,2,2,2-tetrafluoroethoxy]propane (PubChem CID 97290986) has the molecular formula C8HF17O2 and a molecular weight of 452.06 g/mol. Its IUPAC name is (2S)-1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[(1R)-1,2,2,2-tetrafluoroethoxy]propane.

Molecular Properties

Compound Name(2S)-1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[(1R)-1,2,2,2-tetrafluoroethoxy]propane
PubChem CID97290986
Molecular FormulaC8HF17O2
Molecular Weight452.06 g/mol
Exact Mass451.97
IUPAC Name(2S)-1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[(1R)-1,2,2,2-tetrafluoroethoxy]propane
SMILESF[C@@H](OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8HF17O2/c9-1(2(10,11)12)26-8(24,25)4(15,6(19,20)21)27-7(22,23)3(13,14)5(16,17)18/h1H/t1-,4-/m0/s1
InChIKeyPYSYKOPZHYNYSZ-KQVAGGMYSA-N
XLogP5.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.06
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2S)-1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[(1R)-1,2,2,2-tetrafluoroethoxy]propane?
The IUPAC name of (2S)-1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[(1R)-1,2,2,2-tetrafluoroethoxy]propane (CID 97290986) is (2S)-1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[(1R)-1,2,2,2-tetrafluoroethoxy]propane.
What is the SMILES notation for (2S)-1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[(1R)-1,2,2,2-tetrafluoroethoxy]propane?
The canonical SMILES for (2S)-1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[(1R)-1,2,2,2-tetrafluoroethoxy]propane is F[C@@H](OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[(1R)-1,2,2,2-tetrafluoroethoxy]propane?
The InChIKey is PYSYKOPZHYNYSZ-KQVAGGMYSA-N. The full InChI is InChI=1S/C8HF17O2/c9-1(2(10,11)12)26-8(24,25)4(15,6(19,20)21)27-7(22,23)3(13,14)5(16,17)18/h1H/t1-,4-/m0/s1.
What are the key properties of (2S)-1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[(1R)-1,2,2,2-tetrafluoroethoxy]propane?
(2S)-1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[(1R)-1,2,2,2-tetrafluoroethoxy]propane has a molecular weight of 452.06 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[(1R)-1,2,2,2-tetrafluoroethoxy]propane is sourced from PubChem (CID 97290986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).