(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoroacetate

C8H10F2O4 — CID 58225742

IUPAC(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoroacetate
SMILESCC1(C)COC(=O)C1OC(=O)C(F)F
InChIInChI=1S/C8H10F2O4/c1-8(2)3-13-6(11)4(8)14-7(12)5(9)10/h4-5H,3H2,1-2H3
InChIKeyOBUUKDPNAMXFTK-UHFFFAOYSA-N
MW208.16 g/mol
LogP0.75
Rot. Bonds2

About (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoroacetate

(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoroacetate (PubChem CID 58225742) has the molecular formula C8H10F2O4 and a molecular weight of 208.16 g/mol. Its IUPAC name is (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoroacetate.

Molecular Properties

Compound Name(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoroacetate
PubChem CID58225742
Molecular FormulaC8H10F2O4
Molecular Weight208.16 g/mol
Exact Mass208.05
IUPAC Name(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoroacetate
SMILESCC1(C)COC(=O)C1OC(=O)C(F)F
InChIInChI=1S/C8H10F2O4/c1-8(2)3-13-6(11)4(8)14-7(12)5(9)10/h4-5H,3H2,1-2H3
InChIKeyOBUUKDPNAMXFTK-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoroacetate?
The IUPAC name of (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoroacetate (CID 58225742) is (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoroacetate.
What is the SMILES notation for (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoroacetate?
The canonical SMILES for (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoroacetate is CC1(C)COC(=O)C1OC(=O)C(F)F.
What is the InChIKey of (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoroacetate?
The InChIKey is OBUUKDPNAMXFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O4/c1-8(2)3-13-6(11)4(8)14-7(12)5(9)10/h4-5H,3H2,1-2H3.
What are the key properties of (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoroacetate?
(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoroacetate has a molecular weight of 208.16 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoroacetate is sourced from PubChem (CID 58225742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).