2,2,3-tribromo-3-ethoxy-1,1,1-trifluoropropane

C5H6Br3F3O — CID 10595847

IUPAC2,2,3-tribromo-3-ethoxy-1,1,1-trifluoropropane
SMILESCCOC(Br)C(Br)(Br)C(F)(F)F
InChIInChI=1S/C5H6Br3F3O/c1-2-12-3(6)4(7,8)5(9,10)11/h3H,2H2,1H3
InChIKeyCSPIEWMVIYLTKD-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.79
Rot. Bonds3

About 2,2,3-tribromo-3-ethoxy-1,1,1-trifluoropropane

2,2,3-tribromo-3-ethoxy-1,1,1-trifluoropropane (PubChem CID 10595847) has the molecular formula C5H6Br3F3O and a molecular weight of 378.81 g/mol. Its IUPAC name is 2,2,3-tribromo-3-ethoxy-1,1,1-trifluoropropane.

Molecular Properties

Compound Name2,2,3-tribromo-3-ethoxy-1,1,1-trifluoropropane
PubChem CID10595847
Molecular FormulaC5H6Br3F3O
Molecular Weight378.81 g/mol
Exact Mass375.79
IUPAC Name2,2,3-tribromo-3-ethoxy-1,1,1-trifluoropropane
SMILESCCOC(Br)C(Br)(Br)C(F)(F)F
InChIInChI=1S/C5H6Br3F3O/c1-2-12-3(6)4(7,8)5(9,10)11/h3H,2H2,1H3
InChIKeyCSPIEWMVIYLTKD-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-tribromo-3-ethoxy-1,1,1-trifluoropropane?
The IUPAC name of 2,2,3-tribromo-3-ethoxy-1,1,1-trifluoropropane (CID 10595847) is 2,2,3-tribromo-3-ethoxy-1,1,1-trifluoropropane.
What is the SMILES notation for 2,2,3-tribromo-3-ethoxy-1,1,1-trifluoropropane?
The canonical SMILES for 2,2,3-tribromo-3-ethoxy-1,1,1-trifluoropropane is CCOC(Br)C(Br)(Br)C(F)(F)F.
What is the InChIKey of 2,2,3-tribromo-3-ethoxy-1,1,1-trifluoropropane?
The InChIKey is CSPIEWMVIYLTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Br3F3O/c1-2-12-3(6)4(7,8)5(9,10)11/h3H,2H2,1H3.
What are the key properties of 2,2,3-tribromo-3-ethoxy-1,1,1-trifluoropropane?
2,2,3-tribromo-3-ethoxy-1,1,1-trifluoropropane has a molecular weight of 378.81 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-tribromo-3-ethoxy-1,1,1-trifluoropropane is sourced from PubChem (CID 10595847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).