(4,4-difluoro-3-propanoyloxyoxolan-2-yl)methyl propanoate

C11H16F2O5 — CID 156755734

IUPAC(4,4-difluoro-3-propanoyloxyoxolan-2-yl)methyl propanoate
SMILESCCC(=O)OCC1OCC(F)(F)C1OC(=O)CC
InChIInChI=1S/C11H16F2O5/c1-3-8(14)16-5-7-10(18-9(15)4-2)11(12,13)6-17-7/h7,10H,3-6H2,1-2H3
InChIKeyJLLJBDMFJFVYLF-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.30
Rot. Bonds5

About (4,4-difluoro-3-propanoyloxyoxolan-2-yl)methyl propanoate

(4,4-difluoro-3-propanoyloxyoxolan-2-yl)methyl propanoate (PubChem CID 156755734) has the molecular formula C11H16F2O5 and a molecular weight of 266.24 g/mol. Its IUPAC name is (4,4-difluoro-3-propanoyloxyoxolan-2-yl)methyl propanoate.

Molecular Properties

Compound Name(4,4-difluoro-3-propanoyloxyoxolan-2-yl)methyl propanoate
PubChem CID156755734
Molecular FormulaC11H16F2O5
Molecular Weight266.24 g/mol
Exact Mass266.10
IUPAC Name(4,4-difluoro-3-propanoyloxyoxolan-2-yl)methyl propanoate
SMILESCCC(=O)OCC1OCC(F)(F)C1OC(=O)CC
InChIInChI=1S/C11H16F2O5/c1-3-8(14)16-5-7-10(18-9(15)4-2)11(12,13)6-17-7/h7,10H,3-6H2,1-2H3
InChIKeyJLLJBDMFJFVYLF-UHFFFAOYSA-N
XLogP1.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-propanoyloxyoxolan-2-yl)methyl propanoate?
The IUPAC name of (4,4-difluoro-3-propanoyloxyoxolan-2-yl)methyl propanoate (CID 156755734) is (4,4-difluoro-3-propanoyloxyoxolan-2-yl)methyl propanoate.
What is the SMILES notation for (4,4-difluoro-3-propanoyloxyoxolan-2-yl)methyl propanoate?
The canonical SMILES for (4,4-difluoro-3-propanoyloxyoxolan-2-yl)methyl propanoate is CCC(=O)OCC1OCC(F)(F)C1OC(=O)CC.
What is the InChIKey of (4,4-difluoro-3-propanoyloxyoxolan-2-yl)methyl propanoate?
The InChIKey is JLLJBDMFJFVYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O5/c1-3-8(14)16-5-7-10(18-9(15)4-2)11(12,13)6-17-7/h7,10H,3-6H2,1-2H3.
What are the key properties of (4,4-difluoro-3-propanoyloxyoxolan-2-yl)methyl propanoate?
(4,4-difluoro-3-propanoyloxyoxolan-2-yl)methyl propanoate has a molecular weight of 266.24 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-3-propanoyloxyoxolan-2-yl)methyl propanoate is sourced from PubChem (CID 156755734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).