2,2-difluoro-1-(oxan-3-yl)ethanone

C7H10F2O2 — CID 103759707

IUPAC2,2-difluoro-1-(oxan-3-yl)ethanone
SMILESO=C(C(F)F)C1CCCOC1
InChIInChI=1S/C7H10F2O2/c8-7(9)6(10)5-2-1-3-11-4-5/h5,7H,1-4H2
InChIKeyAEJBJZKPROGWSU-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.25
Rot. Bonds2

About 2,2-difluoro-1-(oxan-3-yl)ethanone

2,2-difluoro-1-(oxan-3-yl)ethanone (PubChem CID 103759707) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 2,2-difluoro-1-(oxan-3-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(oxan-3-yl)ethanone
PubChem CID103759707
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name2,2-difluoro-1-(oxan-3-yl)ethanone
SMILESO=C(C(F)F)C1CCCOC1
InChIInChI=1S/C7H10F2O2/c8-7(9)6(10)5-2-1-3-11-4-5/h5,7H,1-4H2
InChIKeyAEJBJZKPROGWSU-UHFFFAOYSA-N
XLogP1.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(oxan-3-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(oxan-3-yl)ethanone (CID 103759707) is 2,2-difluoro-1-(oxan-3-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(oxan-3-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(oxan-3-yl)ethanone is O=C(C(F)F)C1CCCOC1.
What is the InChIKey of 2,2-difluoro-1-(oxan-3-yl)ethanone?
The InChIKey is AEJBJZKPROGWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c8-7(9)6(10)5-2-1-3-11-4-5/h5,7H,1-4H2.
What are the key properties of 2,2-difluoro-1-(oxan-3-yl)ethanone?
2,2-difluoro-1-(oxan-3-yl)ethanone has a molecular weight of 164.15 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(oxan-3-yl)ethanone is sourced from PubChem (CID 103759707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).