4,4-difluorooxane

C5H8F2O — CID 58056804

IUPAC4,4-difluorooxane
SMILESFC1(F)CCOCC1
InChIInChI=1S/C5H8F2O/c6-5(7)1-3-8-4-2-5/h1-4H2
InChIKeyZPYYEARLEQLCSU-UHFFFAOYSA-N
MW122.11 g/mol
LogP1.43
Rot. Bonds

About 4,4-difluorooxane

4,4-difluorooxane (PubChem CID 58056804) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is 4,4-difluorooxane.

Molecular Properties

Compound Name4,4-difluorooxane
PubChem CID58056804
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name4,4-difluorooxane
SMILESFC1(F)CCOCC1
InChIInChI=1S/C5H8F2O/c6-5(7)1-3-8-4-2-5/h1-4H2
InChIKeyZPYYEARLEQLCSU-UHFFFAOYSA-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

Analyze 4,4-difluorooxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,4,4,5,5-Hexafluorotetrahydro-2H-pyran
CID 129806523
2H-Pyran, 3-fluorotetrahydro-
CID 10942361
2-Fluorooxane
CID 18472016
4-(Trifluoromethyl)tetrahydro-2H-pyran
CID 54105449
2H-Pyran, 4-(difluoromethyl)tetrahydro-
CID 97890136
Triflouro tetrahydropyran
CID 129852685
1-(2,2,2-Trifluoro-ethoxy)-pentane
CID 12643281
(5S)-5-fluoro-3,4,5,6-tetrahydro-2H-pyran-6-ylium
CID 134857993
Tetrahydro-2h-pyran hydrogen fluoride
CID 129657974
2H-Pyran, 2,3-difluorotetrahydro-, cis-
CID 71354306
1-Ethoxy-1,1-difluoropentane
CID 21052612
2,3,4,5,6-Pentafluorooxane
CID 21614537

Frequently Asked Questions

What is the IUPAC name of 4,4-difluorooxane?
The IUPAC name of 4,4-difluorooxane (CID 58056804) is 4,4-difluorooxane.
What is the SMILES notation for 4,4-difluorooxane?
The canonical SMILES for 4,4-difluorooxane is FC1(F)CCOCC1.
What is the InChIKey of 4,4-difluorooxane?
The InChIKey is ZPYYEARLEQLCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c6-5(7)1-3-8-4-2-5/h1-4H2.
What are the key properties of 4,4-difluorooxane?
4,4-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 4,4-difluorooxane is sourced from PubChem (CID 58056804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).