2,4-dimethyl-1-propan-2-yloxy-2-(2,2,2-trifluoroethoxymethyl)pentane

C13H25F3O2 — CID 144519269

IUPAC2,4-dimethyl-1-propan-2-yloxy-2-(2,2,2-trifluoroethoxymethyl)pentane
SMILESCC(C)CC(C)(COCC(F)(F)F)COC(C)C
InChIInChI=1S/C13H25F3O2/c1-10(2)6-12(5,8-18-11(3)4)7-17-9-13(14,15)16/h10-11H,6-9H2,1-5H3
InChIKeyNBPUGFIZEXFLDS-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.04
Rot. Bonds8

About 2,4-dimethyl-1-propan-2-yloxy-2-(2,2,2-trifluoroethoxymethyl)pentane

2,4-dimethyl-1-propan-2-yloxy-2-(2,2,2-trifluoroethoxymethyl)pentane (PubChem CID 144519269) has the molecular formula C13H25F3O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2,4-dimethyl-1-propan-2-yloxy-2-(2,2,2-trifluoroethoxymethyl)pentane.

Molecular Properties

Compound Name2,4-dimethyl-1-propan-2-yloxy-2-(2,2,2-trifluoroethoxymethyl)pentane
PubChem CID144519269
Molecular FormulaC13H25F3O2
Molecular Weight270.33 g/mol
Exact Mass270.18
IUPAC Name2,4-dimethyl-1-propan-2-yloxy-2-(2,2,2-trifluoroethoxymethyl)pentane
SMILESCC(C)CC(C)(COCC(F)(F)F)COC(C)C
InChIInChI=1S/C13H25F3O2/c1-10(2)6-12(5,8-18-11(3)4)7-17-9-13(14,15)16/h10-11H,6-9H2,1-5H3
InChIKeyNBPUGFIZEXFLDS-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-propan-2-yloxy-2-(2,2,2-trifluoroethoxymethyl)pentane?
The IUPAC name of 2,4-dimethyl-1-propan-2-yloxy-2-(2,2,2-trifluoroethoxymethyl)pentane (CID 144519269) is 2,4-dimethyl-1-propan-2-yloxy-2-(2,2,2-trifluoroethoxymethyl)pentane.
What is the SMILES notation for 2,4-dimethyl-1-propan-2-yloxy-2-(2,2,2-trifluoroethoxymethyl)pentane?
The canonical SMILES for 2,4-dimethyl-1-propan-2-yloxy-2-(2,2,2-trifluoroethoxymethyl)pentane is CC(C)CC(C)(COCC(F)(F)F)COC(C)C.
What is the InChIKey of 2,4-dimethyl-1-propan-2-yloxy-2-(2,2,2-trifluoroethoxymethyl)pentane?
The InChIKey is NBPUGFIZEXFLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3O2/c1-10(2)6-12(5,8-18-11(3)4)7-17-9-13(14,15)16/h10-11H,6-9H2,1-5H3.
What are the key properties of 2,4-dimethyl-1-propan-2-yloxy-2-(2,2,2-trifluoroethoxymethyl)pentane?
2,4-dimethyl-1-propan-2-yloxy-2-(2,2,2-trifluoroethoxymethyl)pentane has a molecular weight of 270.33 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-propan-2-yloxy-2-(2,2,2-trifluoroethoxymethyl)pentane is sourced from PubChem (CID 144519269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).