2-bromo-1,1,1-trifluoro-3-[2-(2-methoxyethoxy)ethoxy]propane

C8H14BrF3O3 — CID 104561199

IUPAC2-bromo-1,1,1-trifluoro-3-[2-(2-methoxyethoxy)ethoxy]propane
SMILESCOCCOCCOCC(Br)C(F)(F)F
InChIInChI=1S/C8H14BrF3O3/c1-13-2-3-14-4-5-15-6-7(9)8(10,11)12/h7H,2-6H2,1H3
InChIKeyQWXQYCAQXOKTBE-UHFFFAOYSA-N
MW295.10 g/mol
LogP1.99
Rot. Bonds8

About 2-bromo-1,1,1-trifluoro-3-[2-(2-methoxyethoxy)ethoxy]propane

2-bromo-1,1,1-trifluoro-3-[2-(2-methoxyethoxy)ethoxy]propane (PubChem CID 104561199) has the molecular formula C8H14BrF3O3 and a molecular weight of 295.10 g/mol. Its IUPAC name is 2-bromo-1,1,1-trifluoro-3-[2-(2-methoxyethoxy)ethoxy]propane.

Molecular Properties

Compound Name2-bromo-1,1,1-trifluoro-3-[2-(2-methoxyethoxy)ethoxy]propane
PubChem CID104561199
Molecular FormulaC8H14BrF3O3
Molecular Weight295.10 g/mol
Exact Mass294.01
IUPAC Name2-bromo-1,1,1-trifluoro-3-[2-(2-methoxyethoxy)ethoxy]propane
SMILESCOCCOCCOCC(Br)C(F)(F)F
InChIInChI=1S/C8H14BrF3O3/c1-13-2-3-14-4-5-15-6-7(9)8(10,11)12/h7H,2-6H2,1H3
InChIKeyQWXQYCAQXOKTBE-UHFFFAOYSA-N
XLogP1.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-(2-bromo-3,3,3-trifluoropropoxy)ethoxy]ethoxy]ethoxy]butane
CID 104561217
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1,1-dimethoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 14433926
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane-1,1-diol
CID 87208063
methyl 2-bromo-3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 104559740
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430
CID 173303266
CID 173303266
1-methoxy-2-(2-methoxyethoxy)ethane;tellane
CID 175355772
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1,1-trifluoro-3-[2-(2-methoxyethoxy)ethoxy]propane?
The IUPAC name of 2-bromo-1,1,1-trifluoro-3-[2-(2-methoxyethoxy)ethoxy]propane (CID 104561199) is 2-bromo-1,1,1-trifluoro-3-[2-(2-methoxyethoxy)ethoxy]propane.
What is the SMILES notation for 2-bromo-1,1,1-trifluoro-3-[2-(2-methoxyethoxy)ethoxy]propane?
The canonical SMILES for 2-bromo-1,1,1-trifluoro-3-[2-(2-methoxyethoxy)ethoxy]propane is COCCOCCOCC(Br)C(F)(F)F.
What is the InChIKey of 2-bromo-1,1,1-trifluoro-3-[2-(2-methoxyethoxy)ethoxy]propane?
The InChIKey is QWXQYCAQXOKTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrF3O3/c1-13-2-3-14-4-5-15-6-7(9)8(10,11)12/h7H,2-6H2,1H3.
What are the key properties of 2-bromo-1,1,1-trifluoro-3-[2-(2-methoxyethoxy)ethoxy]propane?
2-bromo-1,1,1-trifluoro-3-[2-(2-methoxyethoxy)ethoxy]propane has a molecular weight of 295.10 g/mol, XLogP of 1.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1,1-trifluoro-3-[2-(2-methoxyethoxy)ethoxy]propane is sourced from PubChem (CID 104561199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).