[2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite

C9H11F9O6 — CID 154623546

IUPAC[2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite
SMILESOC(COCC(O)(F)F)COCC(F)(F)OC(F)(F)C(F)(F)OF
InChIInChI=1S/C9H11F9O6/c10-6(11,20)3-21-1-5(19)2-22-4-7(12,13)23-8(14,15)9(16,17)24-18/h5,19-20H,1-4H2
InChIKeySIEMTYVPGGMZLF-UHFFFAOYSA-N
MW386.16 g/mol
LogP1.66
Rot. Bonds12

About [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite

[2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite (PubChem CID 154623546) has the molecular formula C9H11F9O6 and a molecular weight of 386.16 g/mol. Its IUPAC name is [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite.

Molecular Properties

Compound Name[2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite
PubChem CID154623546
Molecular FormulaC9H11F9O6
Molecular Weight386.16 g/mol
Exact Mass386.04
IUPAC Name[2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite
SMILESOC(COCC(O)(F)F)COCC(F)(F)OC(F)(F)C(F)(F)OF
InChIInChI=1S/C9H11F9O6/c10-6(11,20)3-21-1-5(19)2-22-4-7(12,13)23-8(14,15)9(16,17)24-18/h5,19-20H,1-4H2
InChIKeySIEMTYVPGGMZLF-UHFFFAOYSA-N
XLogP1.66
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.16
LogP ≤ 51.66
H-Bond Donors ≤ 52
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-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite?
The IUPAC name of [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite (CID 154623546) is [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite.
What is the SMILES notation for [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite?
The canonical SMILES for [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite is OC(COCC(O)(F)F)COCC(F)(F)OC(F)(F)C(F)(F)OF.
What is the InChIKey of [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite?
The InChIKey is SIEMTYVPGGMZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F9O6/c10-6(11,20)3-21-1-5(19)2-22-4-7(12,13)23-8(14,15)9(16,17)24-18/h5,19-20H,1-4H2.
What are the key properties of [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite?
[2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite has a molecular weight of 386.16 g/mol, XLogP of 1.66, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite is sourced from PubChem (CID 154623546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).