(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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Related Compounds

[3-(hydroxymethyl)oxiran-2-yl]methyl propanoate
CID 131856203
[(3R,4S)-3,4-dihydroxy-5-oxooxan-2-yl]methyl propanoate
CID 59906311
bis[(2R,3R,4S,5R,6R)-3,4,5-tri(propanoyloxy)-6-(propanoyloxymethyl)oxan-2-yl] (E)-but-2-enedioate
CID 146628856
1-O-methyl 4-O-[(2S,3R,4S,5R,6R)-3,4,5-tri(propanoyloxy)-6-(propanoyloxymethyl)oxan-2-yl] (E)-but-2-enedioate
CID 151888132
[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl propanoate
CID 44538333
1,3-oxathiolan-2-ylmethyl propanoate
CID 140984018
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
(4,4-dimethyl-1,3-oxazolidin-2-yl) propanoate
CID 139301428
[(3R,4S,6S)-3,4,5-trihydroxy-6-[(2S,4S,5R)-3,4,5-trihydroxy-6-(propanoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate
CID 58422930
[(4S,5R,6S)-3,5-bis[(2-chloroacetyl)oxy]-2-[(2-chloroacetyl)oxymethyl]-6-hydroxyoxan-4-yl] propanoate
CID 89200516
(E)-4-oxo-4-[(2S,3R,4S,5S,6R)-3,4,5-tri(propanoyloxy)-6-(propanoyloxymethyl)oxan-2-yl]oxybut-2-enoic acid
CID 146628883
azetidin-3-ylmethyl propanoate
CID 89024963

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).