3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane

C13H25F3O2 — CID 121371563

IUPAC3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane
SMILESCC(OC(OCC(F)(F)F)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H25F3O2/c1-9(11(2,3)4)18-10(12(5,6)7)17-8-13(14,15)16/h9-10H,8H2,1-7H3
InChIKeyQRSBSLULQMRNBT-UHFFFAOYSA-N
MW270.34 g/mol
LogP4.39
Rot. Bonds4

About 3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane

3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane (PubChem CID 121371563) has the molecular formula C13H25F3O2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane.

Molecular Properties

Compound Name3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane
PubChem CID121371563
Molecular FormulaC13H25F3O2
Molecular Weight270.34 g/mol
Exact Mass270.18
IUPAC Name3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane
SMILESCC(OC(OCC(F)(F)F)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H25F3O2/c1-9(11(2,3)4)18-10(12(5,6)7)17-8-13(14,15)16/h9-10H,8H2,1-7H3
InChIKeyQRSBSLULQMRNBT-UHFFFAOYSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(2,2,2-trifluoroethoxy)butane
CID 59061021
3-[1-[2-(methoxymethoxy)ethoxy]-2,2-dimethylpropoxy]-2,2-dimethylbutane
CID 121371559
(3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane
CID 168729792
2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane
CID 19828970
1,3-bis[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-5-ethyl-2-propan-2-ylbenzene
CID 175618244
1,1,1-trifluoro-2-(1-methoxyethoxy)ethane
CID 87508044
lithium 3-(2,2,2-trifluoroethoxy)butan-1-olate
CID 175980012
2-[1-(disulfanyl)ethoxy]-1,1,1-trifluoroethane
CID 134572213
lithium 2-(2,2,2-trifluoroethoxy)propan-1-olate
CID 175980024
2,2,2-trifluoroethoxymethanediolate
CID 149435105
3-(2,2,2-trifluoroethoxy)butanenitrile
CID 114995231
1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane
CID 44599462

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane?
The IUPAC name of 3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane (CID 121371563) is 3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane.
What is the SMILES notation for 3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane?
The canonical SMILES for 3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane is CC(OC(OCC(F)(F)F)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane?
The InChIKey is QRSBSLULQMRNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3O2/c1-9(11(2,3)4)18-10(12(5,6)7)17-8-13(14,15)16/h9-10H,8H2,1-7H3.
What are the key properties of 3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane?
3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane has a molecular weight of 270.34 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane is sourced from PubChem (CID 121371563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).