1,2-dibromo-1-ethoxy-1,2,3,3,3-pentafluoropropane

C5H5Br2F5O — CID 86185537

IUPAC1,2-dibromo-1-ethoxy-1,2,3,3,3-pentafluoropropane
SMILESCCOC(F)(Br)C(F)(Br)C(F)(F)F
InChIInChI=1S/C5H5Br2F5O/c1-2-13-4(7,9)3(6,8)5(10,11)12/h2H2,1H3
InChIKeyXYSOCIODJNYRGR-UHFFFAOYSA-N
MW335.89 g/mol
LogP3.66
Rot. Bonds3

About 1,2-dibromo-1-ethoxy-1,2,3,3,3-pentafluoropropane

1,2-dibromo-1-ethoxy-1,2,3,3,3-pentafluoropropane (PubChem CID 86185537) has the molecular formula C5H5Br2F5O and a molecular weight of 335.89 g/mol. Its IUPAC name is 1,2-dibromo-1-ethoxy-1,2,3,3,3-pentafluoropropane.

Molecular Properties

Compound Name1,2-dibromo-1-ethoxy-1,2,3,3,3-pentafluoropropane
PubChem CID86185537
Molecular FormulaC5H5Br2F5O
Molecular Weight335.89 g/mol
Exact Mass333.86
IUPAC Name1,2-dibromo-1-ethoxy-1,2,3,3,3-pentafluoropropane
SMILESCCOC(F)(Br)C(F)(Br)C(F)(F)F
InChIInChI=1S/C5H5Br2F5O/c1-2-13-4(7,9)3(6,8)5(10,11)12/h2H2,1H3
InChIKeyXYSOCIODJNYRGR-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.89
LogP ≤ 53.66
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 1,2-dibromo-1-ethoxy-1,2,3,3,3-pentafluoropropane?
The IUPAC name of 1,2-dibromo-1-ethoxy-1,2,3,3,3-pentafluoropropane (CID 86185537) is 1,2-dibromo-1-ethoxy-1,2,3,3,3-pentafluoropropane.
What is the SMILES notation for 1,2-dibromo-1-ethoxy-1,2,3,3,3-pentafluoropropane?
The canonical SMILES for 1,2-dibromo-1-ethoxy-1,2,3,3,3-pentafluoropropane is CCOC(F)(Br)C(F)(Br)C(F)(F)F.
What is the InChIKey of 1,2-dibromo-1-ethoxy-1,2,3,3,3-pentafluoropropane?
The InChIKey is XYSOCIODJNYRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br2F5O/c1-2-13-4(7,9)3(6,8)5(10,11)12/h2H2,1H3.
What are the key properties of 1,2-dibromo-1-ethoxy-1,2,3,3,3-pentafluoropropane?
1,2-dibromo-1-ethoxy-1,2,3,3,3-pentafluoropropane has a molecular weight of 335.89 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-1-ethoxy-1,2,3,3,3-pentafluoropropane is sourced from PubChem (CID 86185537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).