[2-(2,2-difluoropropoxy)-2-oxoethyl] prop-2-enoate

C8H10F2O4 — CID 88573927

IUPAC[2-(2,2-difluoropropoxy)-2-oxoethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)OCC(C)(F)F
InChIInChI=1S/C8H10F2O4/c1-3-6(11)13-4-7(12)14-5-8(2,9)10/h3H,1,4-5H2,2H3
InChIKeyXOLXSUYPZQKGQB-UHFFFAOYSA-N
MW208.16 g/mol
LogP0.91
Rot. Bonds5

About [2-(2,2-difluoropropoxy)-2-oxoethyl] prop-2-enoate

[2-(2,2-difluoropropoxy)-2-oxoethyl] prop-2-enoate (PubChem CID 88573927) has the molecular formula C8H10F2O4 and a molecular weight of 208.16 g/mol. Its IUPAC name is [2-(2,2-difluoropropoxy)-2-oxoethyl] prop-2-enoate.

Molecular Properties

Compound Name[2-(2,2-difluoropropoxy)-2-oxoethyl] prop-2-enoate
PubChem CID88573927
Molecular FormulaC8H10F2O4
Molecular Weight208.16 g/mol
Exact Mass208.05
IUPAC Name[2-(2,2-difluoropropoxy)-2-oxoethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)OCC(C)(F)F
InChIInChI=1S/C8H10F2O4/c1-3-6(11)13-4-7(12)14-5-8(2,9)10/h3H,1,4-5H2,2H3
InChIKeyXOLXSUYPZQKGQB-UHFFFAOYSA-N
XLogP0.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-difluoropropoxy)-2-oxoethyl] prop-2-enoate?
The IUPAC name of [2-(2,2-difluoropropoxy)-2-oxoethyl] prop-2-enoate (CID 88573927) is [2-(2,2-difluoropropoxy)-2-oxoethyl] prop-2-enoate.
What is the SMILES notation for [2-(2,2-difluoropropoxy)-2-oxoethyl] prop-2-enoate?
The canonical SMILES for [2-(2,2-difluoropropoxy)-2-oxoethyl] prop-2-enoate is C=CC(=O)OCC(=O)OCC(C)(F)F.
What is the InChIKey of [2-(2,2-difluoropropoxy)-2-oxoethyl] prop-2-enoate?
The InChIKey is XOLXSUYPZQKGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O4/c1-3-6(11)13-4-7(12)14-5-8(2,9)10/h3H,1,4-5H2,2H3.
What are the key properties of [2-(2,2-difluoropropoxy)-2-oxoethyl] prop-2-enoate?
[2-(2,2-difluoropropoxy)-2-oxoethyl] prop-2-enoate has a molecular weight of 208.16 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-difluoropropoxy)-2-oxoethyl] prop-2-enoate is sourced from PubChem (CID 88573927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).