3,3,4,5-tetrafluorodioxole;1,1,2,2-tetrafluoroethene

C5F8O2 — CID 174791140

IUPAC3,3,4,5-tetrafluorodioxole;1,1,2,2-tetrafluoroethene
SMILESFC(F)=C(F)F.FC1=C(F)C(F)(F)OO1
InChIInChI=1S/C3F4O2.C2F4/c4-1-2(5)8-9-3(1,6)7;3-1(4)2(5)6
InChIKeyKCZMOYSGHXMCIG-UHFFFAOYSA-N
MW244.04 g/mol
LogP3.64
Rot. Bonds

About 3,3,4,5-tetrafluorodioxole;1,1,2,2-tetrafluoroethene

3,3,4,5-tetrafluorodioxole;1,1,2,2-tetrafluoroethene (PubChem CID 174791140) has the molecular formula C5F8O2 and a molecular weight of 244.04 g/mol. Its IUPAC name is 3,3,4,5-tetrafluorodioxole;1,1,2,2-tetrafluoroethene.

Molecular Properties

Compound Name3,3,4,5-tetrafluorodioxole;1,1,2,2-tetrafluoroethene
PubChem CID174791140
Molecular FormulaC5F8O2
Molecular Weight244.04 g/mol
Exact Mass243.98
IUPAC Name3,3,4,5-tetrafluorodioxole;1,1,2,2-tetrafluoroethene
SMILESFC(F)=C(F)F.FC1=C(F)C(F)(F)OO1
InChIInChI=1S/C3F4O2.C2F4/c4-1-2(5)8-9-3(1,6)7;3-1(4)2(5)6
InChIKeyKCZMOYSGHXMCIG-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethylidene)-4,4,5,6-tetrafluoro-1,3-dioxine
CID 175028023
1,1,2,2-tetrafluoroethene;3,4,5-trifluoro-3H-dioxole
CID 122422321
1,2,3,4,5-pentafluoro-5-(1,2,2-trifluoroethenyl)cyclopenta-1,3-diene
CID 171853780
1,1,2,2-tetrafluoroethene difluoride
CID 157320683
1,1,2,2-tetrafluoroethene;hydrobromide
CID 154944232
1,2,3,3,4,5,6,6-octafluorocyclohexa-1,4-diene
CID 12697770
(2S,5R)-2,5-dibromo-2,3,4,5-tetrafluorofuran
CID 23235462
(1Z,5Z)-1,2,3,3,4,4,5,6,7,7,8,8-dodecafluorocycloocta-1,5-diene;platinum
CID 87582607
2,2,4,5-tetrafluoro-3H-furan-3-ol
CID 174533615
3,4,4-trifluoro-2-hydroxy-1-oxa-2λ6-thiacyclobut-2-ene 2-oxide
CID 123700396
2,3,4,5,6-pentafluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol
CID 154636951
1,2,3,3,4,4,5,5-octafluorocyclopentene
CID 11212

Frequently Asked Questions

What is the IUPAC name of 3,3,4,5-tetrafluorodioxole;1,1,2,2-tetrafluoroethene?
The IUPAC name of 3,3,4,5-tetrafluorodioxole;1,1,2,2-tetrafluoroethene (CID 174791140) is 3,3,4,5-tetrafluorodioxole;1,1,2,2-tetrafluoroethene.
What is the SMILES notation for 3,3,4,5-tetrafluorodioxole;1,1,2,2-tetrafluoroethene?
The canonical SMILES for 3,3,4,5-tetrafluorodioxole;1,1,2,2-tetrafluoroethene is FC(F)=C(F)F.FC1=C(F)C(F)(F)OO1.
What is the InChIKey of 3,3,4,5-tetrafluorodioxole;1,1,2,2-tetrafluoroethene?
The InChIKey is KCZMOYSGHXMCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F4O2.C2F4/c4-1-2(5)8-9-3(1,6)7;3-1(4)2(5)6.
What are the key properties of 3,3,4,5-tetrafluorodioxole;1,1,2,2-tetrafluoroethene?
3,3,4,5-tetrafluorodioxole;1,1,2,2-tetrafluoroethene has a molecular weight of 244.04 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5-tetrafluorodioxole;1,1,2,2-tetrafluoroethene is sourced from PubChem (CID 174791140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).