4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane

C9H6F8O2 — CID 11022884

IUPAC4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESC=CC1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)C=C
InChIInChI=1S/C9H6F8O2/c1-3-5(10)6(11,4-2)19-7(18-5,8(12,13)14)9(15,16)17/h3-4H,1-2H2
InChIKeyZKROSRZVMJOYQC-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.56
Rot. Bonds2

About 4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane

4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 11022884) has the molecular formula C9H6F8O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID11022884
Molecular FormulaC9H6F8O2
Molecular Weight298.13 g/mol
Exact Mass298.02
IUPAC Name4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESC=CC1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)C=C
InChIInChI=1S/C9H6F8O2/c1-3-5(10)6(11,4-2)19-7(18-5,8(12,13)14)9(15,16)17/h3-4H,1-2H2
InChIKeyZKROSRZVMJOYQC-UHFFFAOYSA-N
XLogP3.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 11022884) is 4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane is C=CC1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)C=C.
What is the InChIKey of 4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is ZKROSRZVMJOYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F8O2/c1-3-5(10)6(11,4-2)19-7(18-5,8(12,13)14)9(15,16)17/h3-4H,1-2H2.
What are the key properties of 4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 298.13 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 11022884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).