(2S,3S)-2,3-difluorooxane

C5H8F2O — CID 71354306

IUPAC(2S,3S)-2,3-difluorooxane
SMILESF[C@@H]1OCCC[C@@H]1F
InChIInChI=1S/C5H8F2O/c6-4-2-1-3-8-5(4)7/h4-5H,1-3H2/t4-,5+/m0/s1
InChIKeyYGIYUAMAIOGVRI-CRCLSJGQSA-N
MW122.11 g/mol
LogP1.43
Rot. Bonds

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

(2S,3S)-2,3-difluorooxane (PubChem CID 71354306) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is (2S,3S)-2,3-difluorooxane.

Molecular Properties

Compound Name(2S,3S)-2,3-difluorooxane
PubChem CID71354306
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name(2S,3S)-2,3-difluorooxane
SMILESF[C@@H]1OCCC[C@@H]1F
InChIInChI=1S/C5H8F2O/c6-4-2-1-3-8-5(4)7/h4-5H,1-3H2/t4-,5+/m0/s1
InChIKeyYGIYUAMAIOGVRI-CRCLSJGQSA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydropyran
CID 8894
3,3,4,4,5,5-Hexafluorotetrahydro-2H-pyran
CID 129806523
2H-Pyran, 3-fluorotetrahydro-
CID 10942361
2-Fluorooxane
CID 18472016
Triflouro tetrahydropyran
CID 129852685
(5S)-5-fluoro-3,4,5,6-tetrahydro-2H-pyran-6-ylium
CID 134857993
CID 14970672
CID 14970672
3,4,5,6-tetrahydro-2H-pyran-6-ylium
CID 22983066
Tetrahydro-2h-pyran hydrogen fluoride
CID 129657974
2,3,4,5,6-Pentafluorooxane
CID 21614537
2,3-Difluorooxane
CID 22129381
2,2-Difluorooxane
CID 22129383

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-difluorooxane?
The IUPAC name of (2S,3S)-2,3-difluorooxane (CID 71354306) is (2S,3S)-2,3-difluorooxane.
What is the SMILES notation for (2S,3S)-2,3-difluorooxane?
The canonical SMILES for (2S,3S)-2,3-difluorooxane is F[C@@H]1OCCC[C@@H]1F.
What is the InChIKey of (2S,3S)-2,3-difluorooxane?
The InChIKey is YGIYUAMAIOGVRI-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H8F2O/c6-4-2-1-3-8-5(4)7/h4-5H,1-3H2/t4-,5+/m0/s1.
What are the key properties of (2S,3S)-2,3-difluorooxane?
(2S,3S)-2,3-difluorooxane has a molecular weight of 122.11 g/mol, XLogP of 1.43, 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-difluorooxane is sourced from PubChem (CID 71354306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).