2-ethyl-3,3-difluoro-2H-pyran-4-one

C7H8F2O2 — CID 45090769

IUPAC2-ethyl-3,3-difluoro-2H-pyran-4-one
SMILESCCC1OC=CC(=O)C1(F)F
InChIInChI=1S/C7H8F2O2/c1-2-6-7(8,9)5(10)3-4-11-6/h3-4,6H,2H2,1H3
InChIKeyXWUKKRLQEDZFEP-UHFFFAOYSA-N
MW162.13 g/mol
LogP1.51
Rot. Bonds1

About 2-ethyl-3,3-difluoro-2H-pyran-4-one

2-ethyl-3,3-difluoro-2H-pyran-4-one (PubChem CID 45090769) has the molecular formula C7H8F2O2 and a molecular weight of 162.13 g/mol. Its IUPAC name is 2-ethyl-3,3-difluoro-2H-pyran-4-one.

Molecular Properties

Compound Name2-ethyl-3,3-difluoro-2H-pyran-4-one
PubChem CID45090769
Molecular FormulaC7H8F2O2
Molecular Weight162.13 g/mol
Exact Mass162.05
IUPAC Name2-ethyl-3,3-difluoro-2H-pyran-4-one
SMILESCCC1OC=CC(=O)C1(F)F
InChIInChI=1S/C7H8F2O2/c1-2-6-7(8,9)5(10)3-4-11-6/h3-4,6H,2H2,1H3
InChIKeyXWUKKRLQEDZFEP-UHFFFAOYSA-N
XLogP1.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.13
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,3-difluoro-2H-pyran-4-one?
The IUPAC name of 2-ethyl-3,3-difluoro-2H-pyran-4-one (CID 45090769) is 2-ethyl-3,3-difluoro-2H-pyran-4-one.
What is the SMILES notation for 2-ethyl-3,3-difluoro-2H-pyran-4-one?
The canonical SMILES for 2-ethyl-3,3-difluoro-2H-pyran-4-one is CCC1OC=CC(=O)C1(F)F.
What is the InChIKey of 2-ethyl-3,3-difluoro-2H-pyran-4-one?
The InChIKey is XWUKKRLQEDZFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O2/c1-2-6-7(8,9)5(10)3-4-11-6/h3-4,6H,2H2,1H3.
What are the key properties of 2-ethyl-3,3-difluoro-2H-pyran-4-one?
2-ethyl-3,3-difluoro-2H-pyran-4-one has a molecular weight of 162.13 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,3-difluoro-2H-pyran-4-one is sourced from PubChem (CID 45090769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).