2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane

C5H3F7O2 — CID 22090858

IUPAC2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCC1(F)OC(F)(C(F)(F)F)OC1(F)F
InChIInChI=1S/C5H3F7O2/c1-2(6)4(10,11)14-5(12,13-2)3(7,8)9/h1H3
InChIKeyLJYYALWUNKZCCM-UHFFFAOYSA-N
MW228.06 g/mol
LogP2.50
Rot. Bonds

About 2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane

2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 22090858) has the molecular formula C5H3F7O2 and a molecular weight of 228.06 g/mol. Its IUPAC name is 2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID22090858
Molecular FormulaC5H3F7O2
Molecular Weight228.06 g/mol
Exact Mass228.00
IUPAC Name2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCC1(F)OC(F)(C(F)(F)F)OC1(F)F
InChIInChI=1S/C5H3F7O2/c1-2(6)4(10,11)14-5(12,13-2)3(7,8)9/h1H3
InChIKeyLJYYALWUNKZCCM-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.06
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane (CID 22090858) is 2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane is CC1(F)OC(F)(C(F)(F)F)OC1(F)F.
What is the InChIKey of 2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is LJYYALWUNKZCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O2/c1-2(6)4(10,11)14-5(12,13-2)3(7,8)9/h1H3.
What are the key properties of 2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane?
2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 228.06 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 22090858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).