3-(2,2-difluorobut-3-enoxy)-2H-furan-5-one

C8H8F2O3 — CID 102311445

IUPAC3-(2,2-difluorobut-3-enoxy)-2H-furan-5-one
SMILESC=CC(F)(F)COC1=CC(=O)OC1
InChIInChI=1S/C8H8F2O3/c1-2-8(9,10)5-13-6-3-7(11)12-4-6/h2-3H,1,4-5H2
InChIKeyWQMZIRLFMONZIB-UHFFFAOYSA-N
MW190.14 g/mol
LogP1.26
Rot. Bonds4

About 3-(2,2-difluorobut-3-enoxy)-2H-furan-5-one

3-(2,2-difluorobut-3-enoxy)-2H-furan-5-one (PubChem CID 102311445) has the molecular formula C8H8F2O3 and a molecular weight of 190.14 g/mol. Its IUPAC name is 3-(2,2-difluorobut-3-enoxy)-2H-furan-5-one.

Molecular Properties

Compound Name3-(2,2-difluorobut-3-enoxy)-2H-furan-5-one
PubChem CID102311445
Molecular FormulaC8H8F2O3
Molecular Weight190.14 g/mol
Exact Mass190.04
IUPAC Name3-(2,2-difluorobut-3-enoxy)-2H-furan-5-one
SMILESC=CC(F)(F)COC1=CC(=O)OC1
InChIInChI=1S/C8H8F2O3/c1-2-8(9,10)5-13-6-3-7(11)12-4-6/h2-3H,1,4-5H2
InChIKeyWQMZIRLFMONZIB-UHFFFAOYSA-N
XLogP1.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.14
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluorobut-3-enoxy)-2H-furan-5-one?
The IUPAC name of 3-(2,2-difluorobut-3-enoxy)-2H-furan-5-one (CID 102311445) is 3-(2,2-difluorobut-3-enoxy)-2H-furan-5-one.
What is the SMILES notation for 3-(2,2-difluorobut-3-enoxy)-2H-furan-5-one?
The canonical SMILES for 3-(2,2-difluorobut-3-enoxy)-2H-furan-5-one is C=CC(F)(F)COC1=CC(=O)OC1.
What is the InChIKey of 3-(2,2-difluorobut-3-enoxy)-2H-furan-5-one?
The InChIKey is WQMZIRLFMONZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O3/c1-2-8(9,10)5-13-6-3-7(11)12-4-6/h2-3H,1,4-5H2.
What are the key properties of 3-(2,2-difluorobut-3-enoxy)-2H-furan-5-one?
3-(2,2-difluorobut-3-enoxy)-2H-furan-5-one has a molecular weight of 190.14 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluorobut-3-enoxy)-2H-furan-5-one is sourced from PubChem (CID 102311445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).