2,4-dimethyl-2-(trifluoromethoxy)pentane

C8H15F3O — CID 19768856

IUPAC2,4-dimethyl-2-(trifluoromethoxy)pentane
SMILESCC(C)CC(C)(C)OC(F)(F)F
InChIInChI=1S/C8H15F3O/c1-6(2)5-7(3,4)12-8(9,10)11/h6H,5H2,1-4H3
InChIKeyXLCKFFOAFPLUBK-UHFFFAOYSA-N
MW184.20 g/mol
LogP3.35
Rot. Bonds3

About 2,4-dimethyl-2-(trifluoromethoxy)pentane

2,4-dimethyl-2-(trifluoromethoxy)pentane (PubChem CID 19768856) has the molecular formula C8H15F3O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2,4-dimethyl-2-(trifluoromethoxy)pentane.

Molecular Properties

Compound Name2,4-dimethyl-2-(trifluoromethoxy)pentane
PubChem CID19768856
Molecular FormulaC8H15F3O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name2,4-dimethyl-2-(trifluoromethoxy)pentane
SMILESCC(C)CC(C)(C)OC(F)(F)F
InChIInChI=1S/C8H15F3O/c1-6(2)5-7(3,4)12-8(9,10)11/h6H,5H2,1-4H3
InChIKeyXLCKFFOAFPLUBK-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(trifluoromethoxy)pentane?
The IUPAC name of 2,4-dimethyl-2-(trifluoromethoxy)pentane (CID 19768856) is 2,4-dimethyl-2-(trifluoromethoxy)pentane.
What is the SMILES notation for 2,4-dimethyl-2-(trifluoromethoxy)pentane?
The canonical SMILES for 2,4-dimethyl-2-(trifluoromethoxy)pentane is CC(C)CC(C)(C)OC(F)(F)F.
What is the InChIKey of 2,4-dimethyl-2-(trifluoromethoxy)pentane?
The InChIKey is XLCKFFOAFPLUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O/c1-6(2)5-7(3,4)12-8(9,10)11/h6H,5H2,1-4H3.
What are the key properties of 2,4-dimethyl-2-(trifluoromethoxy)pentane?
2,4-dimethyl-2-(trifluoromethoxy)pentane has a molecular weight of 184.20 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(trifluoromethoxy)pentane is sourced from PubChem (CID 19768856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).