2,2-difluorooxetane

C3H4F2O — CID 58758036

IUPAC2,2-difluorooxetane
SMILESFC1(F)CCO1
InChIInChI=1S/C3H4F2O/c4-3(5)1-2-6-3/h1-2H2
InChIKeyMKEACELXVVNRAA-UHFFFAOYSA-N
MW94.06 g/mol
LogP1.00
Rot. Bonds

About 2,2-difluorooxetane

2,2-difluorooxetane (PubChem CID 58758036) has the molecular formula C3H4F2O and a molecular weight of 94.06 g/mol. Its IUPAC name is 2,2-difluorooxetane.

Molecular Properties

Compound Name2,2-difluorooxetane
PubChem CID58758036
Molecular FormulaC3H4F2O
Molecular Weight94.06 g/mol
Exact Mass94.02
IUPAC Name2,2-difluorooxetane
SMILESFC1(F)CCO1
InChIInChI=1S/C3H4F2O/c4-3(5)1-2-6-3/h1-2H2
InChIKeyMKEACELXVVNRAA-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorooxetane?
The IUPAC name of 2,2-difluorooxetane (CID 58758036) is 2,2-difluorooxetane.
What is the SMILES notation for 2,2-difluorooxetane?
The canonical SMILES for 2,2-difluorooxetane is FC1(F)CCO1.
What is the InChIKey of 2,2-difluorooxetane?
The InChIKey is MKEACELXVVNRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2O/c4-3(5)1-2-6-3/h1-2H2.
What are the key properties of 2,2-difluorooxetane?
2,2-difluorooxetane has a molecular weight of 94.06 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorooxetane is sourced from PubChem (CID 58758036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).