[difluoro-(2,3,3,5,5-pentafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate

C8H4F10O3 — CID 21015221

IUPAC[difluoro-(2,3,3,5,5-pentafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate
SMILESO=C(CC(F)(F)F)OC(F)(F)C1(F)OC(F)(F)CC1(F)F
InChIInChI=1S/C8H4F10O3/c9-4(10)2-6(14,15)21-7(4,16)8(17,18)20-3(19)1-5(11,12)13/h1-2H2
InChIKeyPSGUWQPHTXASRO-UHFFFAOYSA-N
MW338.10 g/mol
LogP3.39
Rot. Bonds3

About [difluoro-(2,3,3,5,5-pentafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate

[difluoro-(2,3,3,5,5-pentafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate (PubChem CID 21015221) has the molecular formula C8H4F10O3 and a molecular weight of 338.10 g/mol. Its IUPAC name is [difluoro-(2,3,3,5,5-pentafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate.

Molecular Properties

Compound Name[difluoro-(2,3,3,5,5-pentafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate
PubChem CID21015221
Molecular FormulaC8H4F10O3
Molecular Weight338.10 g/mol
Exact Mass338.00
IUPAC Name[difluoro-(2,3,3,5,5-pentafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate
SMILESO=C(CC(F)(F)F)OC(F)(F)C1(F)OC(F)(F)CC1(F)F
InChIInChI=1S/C8H4F10O3/c9-4(10)2-6(14,15)21-7(4,16)8(17,18)20-3(19)1-5(11,12)13/h1-2H2
InChIKeyPSGUWQPHTXASRO-UHFFFAOYSA-N
XLogP3.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.10
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [difluoro-(2,3,3,5,5-pentafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [difluoro-(2,3,3,5,5-pentafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate?
The IUPAC name of [difluoro-(2,3,3,5,5-pentafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate (CID 21015221) is [difluoro-(2,3,3,5,5-pentafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate.
What is the SMILES notation for [difluoro-(2,3,3,5,5-pentafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate?
The canonical SMILES for [difluoro-(2,3,3,5,5-pentafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate is O=C(CC(F)(F)F)OC(F)(F)C1(F)OC(F)(F)CC1(F)F.
What is the InChIKey of [difluoro-(2,3,3,5,5-pentafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate?
The InChIKey is PSGUWQPHTXASRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F10O3/c9-4(10)2-6(14,15)21-7(4,16)8(17,18)20-3(19)1-5(11,12)13/h1-2H2.
What are the key properties of [difluoro-(2,3,3,5,5-pentafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate?
[difluoro-(2,3,3,5,5-pentafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate has a molecular weight of 338.10 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro-(2,3,3,5,5-pentafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate is sourced from PubChem (CID 21015221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).