2-(1,1-difluoro-2,2-dimethylpropoxy)-2-fluoro-3,3-dimethylbutane

C11H21F3O — CID 88870739

IUPAC2-(1,1-difluoro-2,2-dimethylpropoxy)-2-fluoro-3,3-dimethylbutane
SMILESCC(C)(C)C(C)(F)OC(F)(F)C(C)(C)C
InChIInChI=1S/C11H21F3O/c1-8(2,3)10(7,12)15-11(13,14)9(4,5)6/h1-7H3
InChIKeyZBMLPDXIBZRYMV-UHFFFAOYSA-N
MW226.28 g/mol
LogP4.37
Rot. Bonds2

About 2-(1,1-difluoro-2,2-dimethylpropoxy)-2-fluoro-3,3-dimethylbutane

2-(1,1-difluoro-2,2-dimethylpropoxy)-2-fluoro-3,3-dimethylbutane (PubChem CID 88870739) has the molecular formula C11H21F3O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(1,1-difluoro-2,2-dimethylpropoxy)-2-fluoro-3,3-dimethylbutane.

Molecular Properties

Compound Name2-(1,1-difluoro-2,2-dimethylpropoxy)-2-fluoro-3,3-dimethylbutane
PubChem CID88870739
Molecular FormulaC11H21F3O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name2-(1,1-difluoro-2,2-dimethylpropoxy)-2-fluoro-3,3-dimethylbutane
SMILESCC(C)(C)C(C)(F)OC(F)(F)C(C)(C)C
InChIInChI=1S/C11H21F3O/c1-8(2,3)10(7,12)15-11(13,14)9(4,5)6/h1-7H3
InChIKeyZBMLPDXIBZRYMV-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(1,1-difluoro-2,2-dimethylpropoxy)-2-fluoro-3,3-dimethylbutane 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-(1,1-difluoro-2,2-dimethylpropoxy)-2-fluoro-3,3-dimethylbutane?
The IUPAC name of 2-(1,1-difluoro-2,2-dimethylpropoxy)-2-fluoro-3,3-dimethylbutane (CID 88870739) is 2-(1,1-difluoro-2,2-dimethylpropoxy)-2-fluoro-3,3-dimethylbutane.
What is the SMILES notation for 2-(1,1-difluoro-2,2-dimethylpropoxy)-2-fluoro-3,3-dimethylbutane?
The canonical SMILES for 2-(1,1-difluoro-2,2-dimethylpropoxy)-2-fluoro-3,3-dimethylbutane is CC(C)(C)C(C)(F)OC(F)(F)C(C)(C)C.
What is the InChIKey of 2-(1,1-difluoro-2,2-dimethylpropoxy)-2-fluoro-3,3-dimethylbutane?
The InChIKey is ZBMLPDXIBZRYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O/c1-8(2,3)10(7,12)15-11(13,14)9(4,5)6/h1-7H3.
What are the key properties of 2-(1,1-difluoro-2,2-dimethylpropoxy)-2-fluoro-3,3-dimethylbutane?
2-(1,1-difluoro-2,2-dimethylpropoxy)-2-fluoro-3,3-dimethylbutane has a molecular weight of 226.28 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2,2-dimethylpropoxy)-2-fluoro-3,3-dimethylbutane is sourced from PubChem (CID 88870739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).