2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane

C4H3F5O2 — CID 19745411

IUPAC2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane
SMILESCC1(F)OC(F)(F)OC1(F)F
InChIInChI=1S/C4H3F5O2/c1-2(5)3(6,7)11-4(8,9)10-2/h1H3
InChIKeyYAJKVYZKXMKSRU-UHFFFAOYSA-N
MW178.06 g/mol
LogP1.86
Rot. Bonds

About 2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane

2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane (PubChem CID 19745411) has the molecular formula C4H3F5O2 and a molecular weight of 178.06 g/mol. Its IUPAC name is 2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane
PubChem CID19745411
Molecular FormulaC4H3F5O2
Molecular Weight178.06 g/mol
Exact Mass178.01
IUPAC Name2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane
SMILESCC1(F)OC(F)(F)OC1(F)F
InChIInChI=1S/C4H3F5O2/c1-2(5)3(6,7)11-4(8,9)10-2/h1H3
InChIKeyYAJKVYZKXMKSRU-UHFFFAOYSA-N
XLogP1.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.06
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane?
The IUPAC name of 2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane (CID 19745411) is 2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane.
What is the SMILES notation for 2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane?
The canonical SMILES for 2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane is CC1(F)OC(F)(F)OC1(F)F.
What is the InChIKey of 2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane?
The InChIKey is YAJKVYZKXMKSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O2/c1-2(5)3(6,7)11-4(8,9)10-2/h1H3.
What are the key properties of 2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane?
2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane has a molecular weight of 178.06 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane is sourced from PubChem (CID 19745411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).