[2-oxo-2-(oxolan-2-ylmethoxy)ethyl] 2,2-difluoropropanoate

C10H14F2O5 — CID 58391807

IUPAC[2-oxo-2-(oxolan-2-ylmethoxy)ethyl] 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCC(=O)OCC1CCCO1
InChIInChI=1S/C10H14F2O5/c1-10(11,12)9(14)17-6-8(13)16-5-7-3-2-4-15-7/h7H,2-6H2,1H3
InChIKeyPZBARTSKOWABNW-UHFFFAOYSA-N
MW252.21 g/mol
LogP0.91
Rot. Bonds5

About [2-oxo-2-(oxolan-2-ylmethoxy)ethyl] 2,2-difluoropropanoate

[2-oxo-2-(oxolan-2-ylmethoxy)ethyl] 2,2-difluoropropanoate (PubChem CID 58391807) has the molecular formula C10H14F2O5 and a molecular weight of 252.21 g/mol. Its IUPAC name is [2-oxo-2-(oxolan-2-ylmethoxy)ethyl] 2,2-difluoropropanoate.

Molecular Properties

Compound Name[2-oxo-2-(oxolan-2-ylmethoxy)ethyl] 2,2-difluoropropanoate
PubChem CID58391807
Molecular FormulaC10H14F2O5
Molecular Weight252.21 g/mol
Exact Mass252.08
IUPAC Name[2-oxo-2-(oxolan-2-ylmethoxy)ethyl] 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCC(=O)OCC1CCCO1
InChIInChI=1S/C10H14F2O5/c1-10(11,12)9(14)17-6-8(13)16-5-7-3-2-4-15-7/h7H,2-6H2,1H3
InChIKeyPZBARTSKOWABNW-UHFFFAOYSA-N
XLogP0.91
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(oxolan-2-ylmethoxy)ethyl] 2,2-difluoropropanoate?
The IUPAC name of [2-oxo-2-(oxolan-2-ylmethoxy)ethyl] 2,2-difluoropropanoate (CID 58391807) is [2-oxo-2-(oxolan-2-ylmethoxy)ethyl] 2,2-difluoropropanoate.
What is the SMILES notation for [2-oxo-2-(oxolan-2-ylmethoxy)ethyl] 2,2-difluoropropanoate?
The canonical SMILES for [2-oxo-2-(oxolan-2-ylmethoxy)ethyl] 2,2-difluoropropanoate is CC(F)(F)C(=O)OCC(=O)OCC1CCCO1.
What is the InChIKey of [2-oxo-2-(oxolan-2-ylmethoxy)ethyl] 2,2-difluoropropanoate?
The InChIKey is PZBARTSKOWABNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O5/c1-10(11,12)9(14)17-6-8(13)16-5-7-3-2-4-15-7/h7H,2-6H2,1H3.
What are the key properties of [2-oxo-2-(oxolan-2-ylmethoxy)ethyl] 2,2-difluoropropanoate?
[2-oxo-2-(oxolan-2-ylmethoxy)ethyl] 2,2-difluoropropanoate has a molecular weight of 252.21 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(oxolan-2-ylmethoxy)ethyl] 2,2-difluoropropanoate is sourced from PubChem (CID 58391807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).