3,3-difluoro-2,5-dimethyloxane

C7H12F2O — CID 59227700

IUPAC3,3-difluoro-2,5-dimethyloxane
SMILESCC1COC(C)C(F)(F)C1
InChIInChI=1S/C7H12F2O/c1-5-3-7(8,9)6(2)10-4-5/h5-6H,3-4H2,1-2H3
InChIKeyUWDLOPQHCKUFLI-UHFFFAOYSA-N
MW150.17 g/mol
LogP2.07
Rot. Bonds

About 3,3-difluoro-2,5-dimethyloxane

3,3-difluoro-2,5-dimethyloxane (PubChem CID 59227700) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 3,3-difluoro-2,5-dimethyloxane.

Molecular Properties

Compound Name3,3-difluoro-2,5-dimethyloxane
PubChem CID59227700
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name3,3-difluoro-2,5-dimethyloxane
SMILESCC1COC(C)C(F)(F)C1
InChIInChI=1S/C7H12F2O/c1-5-3-7(8,9)6(2)10-4-5/h5-6H,3-4H2,1-2H3
InChIKeyUWDLOPQHCKUFLI-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-difluoro-2,5-dimethyloxane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,5-dimethyloxane?
The IUPAC name of 3,3-difluoro-2,5-dimethyloxane (CID 59227700) is 3,3-difluoro-2,5-dimethyloxane.
What is the SMILES notation for 3,3-difluoro-2,5-dimethyloxane?
The canonical SMILES for 3,3-difluoro-2,5-dimethyloxane is CC1COC(C)C(F)(F)C1.
What is the InChIKey of 3,3-difluoro-2,5-dimethyloxane?
The InChIKey is UWDLOPQHCKUFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-5-3-7(8,9)6(2)10-4-5/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,3-difluoro-2,5-dimethyloxane?
3,3-difluoro-2,5-dimethyloxane has a molecular weight of 150.17 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,5-dimethyloxane is sourced from PubChem (CID 59227700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).