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

C7F12O2 — CID 14716216

IUPAC4,5-difluoro-2,2-bis(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)F)O1
InChIInChI=1S/C7F12O2/c8-1-2(9)21-5(20-1,3(10,11)6(14,15)16)4(12,13)7(17,18)19
InChIKeyHBWGPNJPCBADFN-UHFFFAOYSA-N
MW344.05 g/mol
LogP4.19
Rot. Bonds2

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

4,5-difluoro-2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole (PubChem CID 14716216) has the molecular formula C7F12O2 and a molecular weight of 344.05 g/mol. Its IUPAC name is 4,5-difluoro-2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole.

Molecular Properties

Compound Name4,5-difluoro-2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole
PubChem CID14716216
Molecular FormulaC7F12O2
Molecular Weight344.05 g/mol
Exact Mass343.97
IUPAC Name4,5-difluoro-2,2-bis(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)F)O1
InChIInChI=1S/C7F12O2/c8-1-2(9)21-5(20-1,3(10,11)6(14,15)16)4(12,13)7(17,18)19
InChIKeyHBWGPNJPCBADFN-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.05
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-Dioxole, 2,2,4-trifluoro-5-(trifluoromethoxy)-
CID 9837206
CID 87077445
CID 87077445
1,3-Dioxole, 4,5-difluoro-2,2-bis(trifluoromethyl)-
CID 169957
Perfluoro-2-Ethyl-2-Methyl-1,3-Dioxole
CID 14716215
2,2,4,5-Tetrafluoro-1,3-dioxole;1,1,2,2-tetrafluoroethene
CID 130234351
1,1,2,2-Tetrafluoroethene;2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxole
CID 158663025
Perfluoro-2-ethyl-1,3-dioxole
CID 14716214
1,1,1,3,3,3-Hexafluoro-2-(1,2,2-trifluoroethenoxy)-2-(trifluoromethoxy)propane
CID 22119357
4,5-Difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole
CID 22133713
2,4,5-Trifluoro-2-(trifluoromethyl)-1,3-dioxole
CID 23318178
1,1,1,3,3,3-Hexafluoro-2,2-bis(1,2,2-trifluoroethenoxy)propane
CID 58017922
2-(Difluoromethylidene)-4,5-difluoro-1,3-dioxole
CID 69304552

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole?
The IUPAC name of 4,5-difluoro-2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole (CID 14716216) is 4,5-difluoro-2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole.
What is the SMILES notation for 4,5-difluoro-2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole?
The canonical SMILES for 4,5-difluoro-2,2-bis(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)F)O1.
What is the InChIKey of 4,5-difluoro-2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole?
The InChIKey is HBWGPNJPCBADFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F12O2/c8-1-2(9)21-5(20-1,3(10,11)6(14,15)16)4(12,13)7(17,18)19.
What are the key properties of 4,5-difluoro-2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole?
4,5-difluoro-2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole has a molecular weight of 344.05 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole is sourced from PubChem (CID 14716216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).