4,5-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole

C8F14O2 — CID 22133713

IUPAC4,5-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole
SMILESFC1=C(F)OC(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C8F14O2/c9-1-2(10)24-6(23-1,5(15,16)8(20,21)22)3(11,12)4(13,14)7(17,18)19
InChIKeyUNTQFPZLIRGGDB-UHFFFAOYSA-N
MW394.06 g/mol
LogP4.83
Rot. Bonds3

About 4,5-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole

4,5-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole (PubChem CID 22133713) has the molecular formula C8F14O2 and a molecular weight of 394.06 g/mol. Its IUPAC name is 4,5-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole.

Molecular Properties

Compound Name4,5-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole
PubChem CID22133713
Molecular FormulaC8F14O2
Molecular Weight394.06 g/mol
Exact Mass393.97
IUPAC Name4,5-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole
SMILESFC1=C(F)OC(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C8F14O2/c9-1-2(10)24-6(23-1,5(15,16)8(20,21)22)3(11,12)4(13,14)7(17,18)19
InChIKeyUNTQFPZLIRGGDB-UHFFFAOYSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.06
LogP ≤ 54.83
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 4,5-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole?
The IUPAC name of 4,5-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole (CID 22133713) is 4,5-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole.
What is the SMILES notation for 4,5-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole?
The canonical SMILES for 4,5-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole is FC1=C(F)OC(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 4,5-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole?
The InChIKey is UNTQFPZLIRGGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F14O2/c9-1-2(10)24-6(23-1,5(15,16)8(20,21)22)3(11,12)4(13,14)7(17,18)19.
What are the key properties of 4,5-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole?
4,5-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole has a molecular weight of 394.06 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole is sourced from PubChem (CID 22133713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).