(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate

C8H10F2O4 — CID 59602386

IUPAC(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate
SMILESCC1OC(=O)CC1OC(=O)C(C)(F)F
InChIInChI=1S/C8H10F2O4/c1-4-5(3-6(11)13-4)14-7(12)8(2,9)10/h4-5H,3H2,1-2H3
InChIKeyPPDBIPLTOSISJQ-UHFFFAOYSA-N
MW208.16 g/mol
LogP0.89
Rot. Bonds2

About (2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate

(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate (PubChem CID 59602386) has the molecular formula C8H10F2O4 and a molecular weight of 208.16 g/mol. Its IUPAC name is (2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate.

Molecular Properties

Compound Name(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate
PubChem CID59602386
Molecular FormulaC8H10F2O4
Molecular Weight208.16 g/mol
Exact Mass208.05
IUPAC Name(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate
SMILESCC1OC(=O)CC1OC(=O)C(C)(F)F
InChIInChI=1S/C8H10F2O4/c1-4-5(3-6(11)13-4)14-7(12)8(2,9)10/h4-5H,3H2,1-2H3
InChIKeyPPDBIPLTOSISJQ-UHFFFAOYSA-N
XLogP0.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-[4-methyl-2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetate
CID 132579783
[(3R,4R,5R)-4-acetyloxy-5-(difluoromethyl)oxolan-3-yl] acetate
CID 134995578
[(2R,3S)-2-methyl-5-oxooxolan-3-yl] acetate
CID 11355638
4-Ethoxy-1,1,1-trifluoro-4-oxobutan-2-yl pentanoate
CID 54367899
(2-Methyl-5-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 57760163
(2-Methyl-5-oxooxolan-3-yl) 2,2-difluoro-2-(trioxidanylsulfanyl)acetate
CID 57760164
(5-Oxooxolan-3-yl) 2,2-difluoroacetate
CID 58225772
(2-Methyl-5-oxooxolan-3-yl) 2,2-difluoroacetate
CID 58225848
CID 58995247
CID 58995247
(5-Oxooxolan-3-yl) 2,2-difluoropropanoate
CID 59602405
(5-Oxooxolan-2-yl)methyl 2,2-difluoropropanoate
CID 59602483
ethyl 2-fluoro-2-[(2R,3S)-4,4,5,5-tetrafluoro-3-(trifluoromethoxy)oxolan-2-yl]acetate
CID 60024872

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate?
The IUPAC name of (2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate (CID 59602386) is (2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate.
What is the SMILES notation for (2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate?
The canonical SMILES for (2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate is CC1OC(=O)CC1OC(=O)C(C)(F)F.
What is the InChIKey of (2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate?
The InChIKey is PPDBIPLTOSISJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O4/c1-4-5(3-6(11)13-4)14-7(12)8(2,9)10/h4-5H,3H2,1-2H3.
What are the key properties of (2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate?
(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate has a molecular weight of 208.16 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate is sourced from PubChem (CID 59602386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).