(2S,3S)-2,3-difluorooxetane

C3H4F2O — CID 102161856

IUPAC(2S,3S)-2,3-difluorooxetane
SMILESF[C@@H]1OC[C@@H]1F
InChIInChI=1S/C3H4F2O/c4-2-1-6-3(2)5/h2-3H,1H2/t2-,3+/m0/s1
InChIKeyYNUONZJBZZBSKT-STHAYSLISA-N
MW94.06 g/mol
LogP0.65
Rot. Bonds

About (2S,3S)-2,3-difluorooxetane

(2S,3S)-2,3-difluorooxetane (PubChem CID 102161856) has the molecular formula C3H4F2O and a molecular weight of 94.06 g/mol. Its IUPAC name is (2S,3S)-2,3-difluorooxetane.

Molecular Properties

Compound Name(2S,3S)-2,3-difluorooxetane
PubChem CID102161856
Molecular FormulaC3H4F2O
Molecular Weight94.06 g/mol
Exact Mass94.02
IUPAC Name(2S,3S)-2,3-difluorooxetane
SMILESF[C@@H]1OC[C@@H]1F
InChIInChI=1S/C3H4F2O/c4-2-1-6-3(2)5/h2-3H,1H2/t2-,3+/m0/s1
InChIKeyYNUONZJBZZBSKT-STHAYSLISA-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 (2S,3S)-2,3-difluorooxetane?
The IUPAC name of (2S,3S)-2,3-difluorooxetane (CID 102161856) is (2S,3S)-2,3-difluorooxetane.
What is the SMILES notation for (2S,3S)-2,3-difluorooxetane?
The canonical SMILES for (2S,3S)-2,3-difluorooxetane is F[C@@H]1OC[C@@H]1F.
What is the InChIKey of (2S,3S)-2,3-difluorooxetane?
The InChIKey is YNUONZJBZZBSKT-STHAYSLISA-N. The full InChI is InChI=1S/C3H4F2O/c4-2-1-6-3(2)5/h2-3H,1H2/t2-,3+/m0/s1.
What are the key properties of (2S,3S)-2,3-difluorooxetane?
(2S,3S)-2,3-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 (2S,3S)-2,3-difluorooxetane is sourced from PubChem (CID 102161856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).