4,4,5-trifluoro-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-2-(trifluoromethyl)-1,3-dioxolane

C7HF11O2 — CID 90243315

IUPAC4,4,5-trifluoro-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-2-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)=C(F)C(F)(F)C1(C(F)(F)F)OC(F)C(F)(F)O1
InChIInChI=1S/C7HF11O2/c8-1(2(9)10)4(12,13)6(7(16,17)18)19-3(11)5(14,15)20-6/h3H
InChIKeyMEZNXBGHVRKKBV-UHFFFAOYSA-N
MW326.06 g/mol
LogP3.89
Rot. Bonds2

About 4,4,5-trifluoro-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-2-(trifluoromethyl)-1,3-dioxolane

4,4,5-trifluoro-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 90243315) has the molecular formula C7HF11O2 and a molecular weight of 326.06 g/mol. Its IUPAC name is 4,4,5-trifluoro-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,4,5-trifluoro-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID90243315
Molecular FormulaC7HF11O2
Molecular Weight326.06 g/mol
Exact Mass325.98
IUPAC Name4,4,5-trifluoro-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-2-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)=C(F)C(F)(F)C1(C(F)(F)F)OC(F)C(F)(F)O1
InChIInChI=1S/C7HF11O2/c8-1(2(9)10)4(12,13)6(7(16,17)18)19-3(11)5(14,15)20-6/h3H
InChIKeyMEZNXBGHVRKKBV-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.06
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-trifluoro-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,4,5-trifluoro-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-2-(trifluoromethyl)-1,3-dioxolane (CID 90243315) is 4,4,5-trifluoro-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,4,5-trifluoro-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,4,5-trifluoro-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-2-(trifluoromethyl)-1,3-dioxolane is FC(F)=C(F)C(F)(F)C1(C(F)(F)F)OC(F)C(F)(F)O1.
What is the InChIKey of 4,4,5-trifluoro-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is MEZNXBGHVRKKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF11O2/c8-1(2(9)10)4(12,13)6(7(16,17)18)19-3(11)5(14,15)20-6/h3H.
What are the key properties of 4,4,5-trifluoro-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-2-(trifluoromethyl)-1,3-dioxolane?
4,4,5-trifluoro-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 326.06 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trifluoro-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 90243315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).