3-(2-ethyl-1,1-difluoro-2,3-dimethylbutoxy)-2,2-difluoro-3-methylbutan-1-ol

C13H24F4O2 — CID 89027941

IUPAC3-(2-ethyl-1,1-difluoro-2,3-dimethylbutoxy)-2,2-difluoro-3-methylbutan-1-ol
SMILESCCC(C)(C(C)C)C(F)(F)OC(C)(C)C(F)(F)CO
InChIInChI=1S/C13H24F4O2/c1-7-11(6,9(2)3)13(16,17)19-10(4,5)12(14,15)8-18/h9,18H,7-8H2,1-6H3
InChIKeyCYHXUGLYOIUJTC-UHFFFAOYSA-N
MW288.33 g/mol
LogP4.07
Rot. Bonds7

About 3-(2-ethyl-1,1-difluoro-2,3-dimethylbutoxy)-2,2-difluoro-3-methylbutan-1-ol

3-(2-ethyl-1,1-difluoro-2,3-dimethylbutoxy)-2,2-difluoro-3-methylbutan-1-ol (PubChem CID 89027941) has the molecular formula C13H24F4O2 and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-(2-ethyl-1,1-difluoro-2,3-dimethylbutoxy)-2,2-difluoro-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(2-ethyl-1,1-difluoro-2,3-dimethylbutoxy)-2,2-difluoro-3-methylbutan-1-ol
PubChem CID89027941
Molecular FormulaC13H24F4O2
Molecular Weight288.33 g/mol
Exact Mass288.17
IUPAC Name3-(2-ethyl-1,1-difluoro-2,3-dimethylbutoxy)-2,2-difluoro-3-methylbutan-1-ol
SMILESCCC(C)(C(C)C)C(F)(F)OC(C)(C)C(F)(F)CO
InChIInChI=1S/C13H24F4O2/c1-7-11(6,9(2)3)13(16,17)19-10(4,5)12(14,15)8-18/h9,18H,7-8H2,1-6H3
InChIKeyCYHXUGLYOIUJTC-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-1,1-difluoro-2,3-dimethylbutoxy)-2,2-difluoro-3-methylbutan-1-ol?
The IUPAC name of 3-(2-ethyl-1,1-difluoro-2,3-dimethylbutoxy)-2,2-difluoro-3-methylbutan-1-ol (CID 89027941) is 3-(2-ethyl-1,1-difluoro-2,3-dimethylbutoxy)-2,2-difluoro-3-methylbutan-1-ol.
What is the SMILES notation for 3-(2-ethyl-1,1-difluoro-2,3-dimethylbutoxy)-2,2-difluoro-3-methylbutan-1-ol?
The canonical SMILES for 3-(2-ethyl-1,1-difluoro-2,3-dimethylbutoxy)-2,2-difluoro-3-methylbutan-1-ol is CCC(C)(C(C)C)C(F)(F)OC(C)(C)C(F)(F)CO.
What is the InChIKey of 3-(2-ethyl-1,1-difluoro-2,3-dimethylbutoxy)-2,2-difluoro-3-methylbutan-1-ol?
The InChIKey is CYHXUGLYOIUJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F4O2/c1-7-11(6,9(2)3)13(16,17)19-10(4,5)12(14,15)8-18/h9,18H,7-8H2,1-6H3.
What are the key properties of 3-(2-ethyl-1,1-difluoro-2,3-dimethylbutoxy)-2,2-difluoro-3-methylbutan-1-ol?
3-(2-ethyl-1,1-difluoro-2,3-dimethylbutoxy)-2,2-difluoro-3-methylbutan-1-ol has a molecular weight of 288.33 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-1,1-difluoro-2,3-dimethylbutoxy)-2,2-difluoro-3-methylbutan-1-ol is sourced from PubChem (CID 89027941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).