2-[2-(1,1,2-trifluoroethoxy)ethoxy]propane

C7H13F3O2 — CID 139683244

IUPAC2-[2-(1,1,2-trifluoroethoxy)ethoxy]propane
SMILESCC(C)OCCOC(F)(F)CF
InChIInChI=1S/C7H13F3O2/c1-6(2)11-3-4-12-7(9,10)5-8/h6H,3-5H2,1-2H3
InChIKeyZXFLLVRJHPVJIH-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.99
Rot. Bonds6

About 2-[2-(1,1,2-trifluoroethoxy)ethoxy]propane

2-[2-(1,1,2-trifluoroethoxy)ethoxy]propane (PubChem CID 139683244) has the molecular formula C7H13F3O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-[2-(1,1,2-trifluoroethoxy)ethoxy]propane.

Molecular Properties

Compound Name2-[2-(1,1,2-trifluoroethoxy)ethoxy]propane
PubChem CID139683244
Molecular FormulaC7H13F3O2
Molecular Weight186.17 g/mol
Exact Mass186.09
IUPAC Name2-[2-(1,1,2-trifluoroethoxy)ethoxy]propane
SMILESCC(C)OCCOC(F)(F)CF
InChIInChI=1S/C7H13F3O2/c1-6(2)11-3-4-12-7(9,10)5-8/h6H,3-5H2,1-2H3
InChIKeyZXFLLVRJHPVJIH-UHFFFAOYSA-N
XLogP1.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(1,1,2-trifluoroethoxy)ethoxy]propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275
2-ethyl-2-(2-propan-2-yloxyethoxy)butan-1-amine
CID 65051183
methane;2-(2-propan-2-yloxyethoxy)propane;2-(propan-2-yloxymethoxy)propane
CID 159716296
1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
CID 157339053
1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane
CID 54403721
fluoromethane;1,1,2-trifluoro-1-(fluoromethoxy)ethane;1,2,2-trifluoropropane
CID 91351347
2-(2-ethenoxyethoxy)propane
CID 14510947
4-propan-2-yloxybutyl trifluoromethanesulfonate
CID 139845412
4,4,4-trifluoro-3-(2-propan-2-yloxyethoxy)butanoic acid
CID 63073610
1,6-di(propan-2-yloxy)hexane
CID 10899702
1,1-difluoro-1-propan-2-yloxypropane
CID 154670708
2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 166728027

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1,2-trifluoroethoxy)ethoxy]propane?
The IUPAC name of 2-[2-(1,1,2-trifluoroethoxy)ethoxy]propane (CID 139683244) is 2-[2-(1,1,2-trifluoroethoxy)ethoxy]propane.
What is the SMILES notation for 2-[2-(1,1,2-trifluoroethoxy)ethoxy]propane?
The canonical SMILES for 2-[2-(1,1,2-trifluoroethoxy)ethoxy]propane is CC(C)OCCOC(F)(F)CF.
What is the InChIKey of 2-[2-(1,1,2-trifluoroethoxy)ethoxy]propane?
The InChIKey is ZXFLLVRJHPVJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O2/c1-6(2)11-3-4-12-7(9,10)5-8/h6H,3-5H2,1-2H3.
What are the key properties of 2-[2-(1,1,2-trifluoroethoxy)ethoxy]propane?
2-[2-(1,1,2-trifluoroethoxy)ethoxy]propane has a molecular weight of 186.17 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1,2-trifluoroethoxy)ethoxy]propane is sourced from PubChem (CID 139683244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).