(5-oxooxolan-2-yl)methyl 2,2-difluoroacetate

C7H8F2O4 — CID 58225909

IUPAC(5-oxooxolan-2-yl)methyl 2,2-difluoroacetate
SMILESO=C1CCC(COC(=O)C(F)F)O1
InChIInChI=1S/C7H8F2O4/c8-6(9)7(11)12-3-4-1-2-5(10)13-4/h4,6H,1-3H2
InChIKeyDKXFAMKBAZABRQ-UHFFFAOYSA-N
MW194.13 g/mol
LogP0.50
Rot. Bonds3

About (5-oxooxolan-2-yl)methyl 2,2-difluoroacetate

(5-oxooxolan-2-yl)methyl 2,2-difluoroacetate (PubChem CID 58225909) has the molecular formula C7H8F2O4 and a molecular weight of 194.13 g/mol. Its IUPAC name is (5-oxooxolan-2-yl)methyl 2,2-difluoroacetate.

Molecular Properties

Compound Name(5-oxooxolan-2-yl)methyl 2,2-difluoroacetate
PubChem CID58225909
Molecular FormulaC7H8F2O4
Molecular Weight194.13 g/mol
Exact Mass194.04
IUPAC Name(5-oxooxolan-2-yl)methyl 2,2-difluoroacetate
SMILESO=C1CCC(COC(=O)C(F)F)O1
InChIInChI=1S/C7H8F2O4/c8-6(9)7(11)12-3-4-1-2-5(10)13-4/h4,6H,1-3H2
InChIKeyDKXFAMKBAZABRQ-UHFFFAOYSA-N
XLogP0.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-oxooxolan-2-yl)methyl 2,2-difluoroacetate?
The IUPAC name of (5-oxooxolan-2-yl)methyl 2,2-difluoroacetate (CID 58225909) is (5-oxooxolan-2-yl)methyl 2,2-difluoroacetate.
What is the SMILES notation for (5-oxooxolan-2-yl)methyl 2,2-difluoroacetate?
The canonical SMILES for (5-oxooxolan-2-yl)methyl 2,2-difluoroacetate is O=C1CCC(COC(=O)C(F)F)O1.
What is the InChIKey of (5-oxooxolan-2-yl)methyl 2,2-difluoroacetate?
The InChIKey is DKXFAMKBAZABRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O4/c8-6(9)7(11)12-3-4-1-2-5(10)13-4/h4,6H,1-3H2.
What are the key properties of (5-oxooxolan-2-yl)methyl 2,2-difluoroacetate?
(5-oxooxolan-2-yl)methyl 2,2-difluoroacetate has a molecular weight of 194.13 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxooxolan-2-yl)methyl 2,2-difluoroacetate is sourced from PubChem (CID 58225909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).