2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,2-trifluoropropane

C6H6F6O2 — CID 89033602

IUPAC2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,2-trifluoropropane
SMILESCC(F)(OC(OCF)=C(F)F)C(F)F
InChIInChI=1S/C6H6F6O2/c1-6(12,5(10)11)14-4(3(8)9)13-2-7/h5H,2H2,1H3
InChIKeyNJIMLEYWGADCFP-UHFFFAOYSA-N
MW224.10 g/mol
LogP2.96
Rot. Bonds5

About 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,2-trifluoropropane

2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,2-trifluoropropane (PubChem CID 89033602) has the molecular formula C6H6F6O2 and a molecular weight of 224.10 g/mol. Its IUPAC name is 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,2-trifluoropropane.

Molecular Properties

Compound Name2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,2-trifluoropropane
PubChem CID89033602
Molecular FormulaC6H6F6O2
Molecular Weight224.10 g/mol
Exact Mass224.03
IUPAC Name2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,2-trifluoropropane
SMILESCC(F)(OC(OCF)=C(F)F)C(F)F
InChIInChI=1S/C6H6F6O2/c1-6(12,5(10)11)14-4(3(8)9)13-2-7/h5H,2H2,1H3
InChIKeyNJIMLEYWGADCFP-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,2-trifluoropropane 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 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,2-trifluoropropane?
The IUPAC name of 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,2-trifluoropropane (CID 89033602) is 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,2-trifluoropropane.
What is the SMILES notation for 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,2-trifluoropropane?
The canonical SMILES for 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,2-trifluoropropane is CC(F)(OC(OCF)=C(F)F)C(F)F.
What is the InChIKey of 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,2-trifluoropropane?
The InChIKey is NJIMLEYWGADCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O2/c1-6(12,5(10)11)14-4(3(8)9)13-2-7/h5H,2H2,1H3.
What are the key properties of 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,2-trifluoropropane?
2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,2-trifluoropropane has a molecular weight of 224.10 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoro-1-(fluoromethoxy)ethenoxy]-1,1,2-trifluoropropane is sourced from PubChem (CID 89033602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).