4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole;1,1,2,2-tetrafluoroethene

C7F12O2 — CID 87077445

IUPAC4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole;1,1,2,2-tetrafluoroethene
SMILESFC(F)=C(F)F.FC1=C(F)OC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C5F8O2.C2F4/c6-1-2(7)15-3(14-1,4(8,9)10)5(11,12)13;3-1(4)2(5)6
InChIKeyWAQVMMYKXQPUNG-UHFFFAOYSA-N
MW344.05 g/mol
LogP4.91
Rot. Bonds

About 4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole;1,1,2,2-tetrafluoroethene

4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole;1,1,2,2-tetrafluoroethene (PubChem CID 87077445) has the molecular formula C7F12O2 and a molecular weight of 344.05 g/mol. Its IUPAC name is 4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole;1,1,2,2-tetrafluoroethene.

Molecular Properties

Compound Name4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole;1,1,2,2-tetrafluoroethene
PubChem CID87077445
Molecular FormulaC7F12O2
Molecular Weight344.05 g/mol
Exact Mass343.97
IUPAC Name4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole;1,1,2,2-tetrafluoroethene
SMILESFC(F)=C(F)F.FC1=C(F)OC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C5F8O2.C2F4/c6-1-2(7)15-3(14-1,4(8,9)10)5(11,12)13;3-1(4)2(5)6
InChIKeyWAQVMMYKXQPUNG-UHFFFAOYSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.05
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dioxole, 2,2,4-trifluoro-5-(trifluoromethoxy)-
CID 9837206
1-[Difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene
CID 71405026
1,1'-((Difluoromethylene)bis(oxy))bis(1,2,2-trifluoroethylene)
CID 83770
1,3-Dioxole, 4,5-difluoro-2,2-bis(trifluoromethyl)-
CID 169957
Perfluorodioxole
CID 11744752
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
1,3-Dioxole, 4-chloro-5-fluoro-2,2-bis(trifluoromethyl)-
CID 11129068
2,2,4-Trifluoro-5-(trifluoromethyl)-1,3-dioxole
CID 11790069
Perfluoro-2-ethyl-1,3-dioxole
CID 14716214
4,5-Difluoro-2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole
CID 14716216

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole;1,1,2,2-tetrafluoroethene?
The IUPAC name of 4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole;1,1,2,2-tetrafluoroethene (CID 87077445) is 4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole;1,1,2,2-tetrafluoroethene.
What is the SMILES notation for 4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole;1,1,2,2-tetrafluoroethene?
The canonical SMILES for 4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole;1,1,2,2-tetrafluoroethene is FC(F)=C(F)F.FC1=C(F)OC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole;1,1,2,2-tetrafluoroethene?
The InChIKey is WAQVMMYKXQPUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F8O2.C2F4/c6-1-2(7)15-3(14-1,4(8,9)10)5(11,12)13;3-1(4)2(5)6.
What are the key properties of 4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole;1,1,2,2-tetrafluoroethene?
4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole;1,1,2,2-tetrafluoroethene has a molecular weight of 344.05 g/mol, XLogP of 4.91, 0 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(trifluoromethyl)-1,3-dioxole;1,1,2,2-tetrafluoroethene is sourced from PubChem (CID 87077445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).