2,2-difluoro-5,5-dimethylfuran

C6H8F2O — CID 23405384

IUPAC2,2-difluoro-5,5-dimethylfuran
SMILESCC1(C)C=CC(F)(F)O1
InChIInChI=1S/C6H8F2O/c1-5(2)3-4-6(7,8)9-5/h3-4H,1-2H3
InChIKeyZRWGWZPTUQDXEO-UHFFFAOYSA-N
MW134.12 g/mol
LogP1.94
Rot. Bonds

About 2,2-difluoro-5,5-dimethylfuran

2,2-difluoro-5,5-dimethylfuran (PubChem CID 23405384) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is 2,2-difluoro-5,5-dimethylfuran.

Molecular Properties

Compound Name2,2-difluoro-5,5-dimethylfuran
PubChem CID23405384
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name2,2-difluoro-5,5-dimethylfuran
SMILESCC1(C)C=CC(F)(F)O1
InChIInChI=1S/C6H8F2O/c1-5(2)3-4-6(7,8)9-5/h3-4H,1-2H3
InChIKeyZRWGWZPTUQDXEO-UHFFFAOYSA-N
XLogP1.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5,5-dimethylfuran?
The IUPAC name of 2,2-difluoro-5,5-dimethylfuran (CID 23405384) is 2,2-difluoro-5,5-dimethylfuran.
What is the SMILES notation for 2,2-difluoro-5,5-dimethylfuran?
The canonical SMILES for 2,2-difluoro-5,5-dimethylfuran is CC1(C)C=CC(F)(F)O1.
What is the InChIKey of 2,2-difluoro-5,5-dimethylfuran?
The InChIKey is ZRWGWZPTUQDXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O/c1-5(2)3-4-6(7,8)9-5/h3-4H,1-2H3.
What are the key properties of 2,2-difluoro-5,5-dimethylfuran?
2,2-difluoro-5,5-dimethylfuran has a molecular weight of 134.12 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5,5-dimethylfuran is sourced from PubChem (CID 23405384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).