1-[butoxy(difluoro)methoxy]-1,1,2-trifluoro-2-methylpropane;fluoroethane

C11H20F6O2 — CID 91066526

IUPAC1-[butoxy(difluoro)methoxy]-1,1,2-trifluoro-2-methylpropane;fluoroethane
SMILESCCCCOC(F)(F)OC(F)(F)C(C)(C)F.CCF
InChIInChI=1S/C9H15F5O2.C2H5F/c1-4-5-6-15-9(13,14)16-8(11,12)7(2,3)10;1-2-3/h4-6H2,1-3H3;2H2,1H3
InChIKeyBTIKZIJTIJFPCE-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.69
Rot. Bonds7

About 1-[butoxy(difluoro)methoxy]-1,1,2-trifluoro-2-methylpropane;fluoroethane

1-[butoxy(difluoro)methoxy]-1,1,2-trifluoro-2-methylpropane;fluoroethane (PubChem CID 91066526) has the molecular formula C11H20F6O2 and a molecular weight of 298.27 g/mol. Its IUPAC name is 1-[butoxy(difluoro)methoxy]-1,1,2-trifluoro-2-methylpropane;fluoroethane.

Molecular Properties

Compound Name1-[butoxy(difluoro)methoxy]-1,1,2-trifluoro-2-methylpropane;fluoroethane
PubChem CID91066526
Molecular FormulaC11H20F6O2
Molecular Weight298.27 g/mol
Exact Mass298.14
IUPAC Name1-[butoxy(difluoro)methoxy]-1,1,2-trifluoro-2-methylpropane;fluoroethane
SMILESCCCCOC(F)(F)OC(F)(F)C(C)(C)F.CCF
InChIInChI=1S/C9H15F5O2.C2H5F/c1-4-5-6-15-9(13,14)16-8(11,12)7(2,3)10;1-2-3/h4-6H2,1-3H3;2H2,1H3
InChIKeyBTIKZIJTIJFPCE-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[butoxy(difluoro)methoxy]-1,1,2-trifluoro-2-methylpropane;fluoroethane 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 1-[butoxy(difluoro)methoxy]-1,1,2-trifluoro-2-methylpropane;fluoroethane?
The IUPAC name of 1-[butoxy(difluoro)methoxy]-1,1,2-trifluoro-2-methylpropane;fluoroethane (CID 91066526) is 1-[butoxy(difluoro)methoxy]-1,1,2-trifluoro-2-methylpropane;fluoroethane.
What is the SMILES notation for 1-[butoxy(difluoro)methoxy]-1,1,2-trifluoro-2-methylpropane;fluoroethane?
The canonical SMILES for 1-[butoxy(difluoro)methoxy]-1,1,2-trifluoro-2-methylpropane;fluoroethane is CCCCOC(F)(F)OC(F)(F)C(C)(C)F.CCF.
What is the InChIKey of 1-[butoxy(difluoro)methoxy]-1,1,2-trifluoro-2-methylpropane;fluoroethane?
The InChIKey is BTIKZIJTIJFPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F5O2.C2H5F/c1-4-5-6-15-9(13,14)16-8(11,12)7(2,3)10;1-2-3/h4-6H2,1-3H3;2H2,1H3.
What are the key properties of 1-[butoxy(difluoro)methoxy]-1,1,2-trifluoro-2-methylpropane;fluoroethane?
1-[butoxy(difluoro)methoxy]-1,1,2-trifluoro-2-methylpropane;fluoroethane has a molecular weight of 298.27 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butoxy(difluoro)methoxy]-1,1,2-trifluoro-2-methylpropane;fluoroethane is sourced from PubChem (CID 91066526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).