3,3-difluorooxetane

C3H4F2O — CID 53346588

IUPAC3,3-difluorooxetane
SMILESFC1(F)COC1
InChIInChI=1S/C3H4F2O/c4-3(5)1-6-2-3/h1-2H2
InChIKeyZIJXRBOWCNYSSG-UHFFFAOYSA-N
MW94.06 g/mol
LogP0.65
Rot. Bonds

About 3,3-difluorooxetane

3,3-difluorooxetane (PubChem CID 53346588) has the molecular formula C3H4F2O and a molecular weight of 94.06 g/mol. Its IUPAC name is 3,3-difluorooxetane.

Molecular Properties

Compound Name3,3-difluorooxetane
PubChem CID53346588
Molecular FormulaC3H4F2O
Molecular Weight94.06 g/mol
Exact Mass94.02
IUPAC Name3,3-difluorooxetane
SMILESFC1(F)COC1
InChIInChI=1S/C3H4F2O/c4-3(5)1-6-2-3/h1-2H2
InChIKeyZIJXRBOWCNYSSG-UHFFFAOYSA-N
XLogP0.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.06
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluorooxetane?
The IUPAC name of 3,3-difluorooxetane (CID 53346588) is 3,3-difluorooxetane.
What is the SMILES notation for 3,3-difluorooxetane?
The canonical SMILES for 3,3-difluorooxetane is FC1(F)COC1.
What is the InChIKey of 3,3-difluorooxetane?
The InChIKey is ZIJXRBOWCNYSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2O/c4-3(5)1-6-2-3/h1-2H2.
What are the key properties of 3,3-difluorooxetane?
3,3-difluorooxetane has a molecular weight of 94.06 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorooxetane is sourced from PubChem (CID 53346588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).