1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane

C5H2Br2F8O — CID 2778295

IUPAC1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane
SMILESFC(F)(F)COC(F)(Br)C(F)(Br)C(F)(F)F
InChIInChI=1S/C5H2Br2F8O/c6-3(11,5(13,14)15)4(7,12)16-1-2(8,9)10/h1H2
InChIKeyVUXWJSADJYWRST-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.21
Rot. Bonds3

About 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane

1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane (PubChem CID 2778295) has the molecular formula C5H2Br2F8O and a molecular weight of 389.86 g/mol. Its IUPAC name is 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane.

Molecular Properties

Compound Name1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane
PubChem CID2778295
Molecular FormulaC5H2Br2F8O
Molecular Weight389.86 g/mol
Exact Mass387.83
IUPAC Name1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane
SMILESFC(F)(F)COC(F)(Br)C(F)(Br)C(F)(F)F
InChIInChI=1S/C5H2Br2F8O/c6-3(11,5(13,14)15)4(7,12)16-1-2(8,9)10/h1H2
InChIKeyVUXWJSADJYWRST-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane
CID 2778205
1,2-Dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3-tetrafluoropropoxy)propane
CID 2778644
2,3-Dibromo-3-ethoxy-1,1,1-trifluoropropane
CID 10518283
1,2-Dibromo-1-ethoxy-1,2,3,3,3-pentafluoropropane
CID 86185537
1,2-Dibromoperfluoroisobutyl ethyl ether
CID 129802585
1-Bromo-1,1,2,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane
CID 89517151
1,2-Dibromo-3-(2,3-dibromo-1,3,3-trifluoropropoxy)-1,1,3-trifluoropropane
CID 162717935
1,2-Dibromo-1,1,2,3,3-pentafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane
CID 2758041
2,2,3-Tribromo-3-ethoxy-1,1,1-trifluoropropane
CID 10595847
(1S,2S)-1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3-tetrafluoropropoxy)propane
CID 97290813
(1R,2S)-1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3-tetrafluoropropoxy)propane
CID 97290814
(1S,2R)-1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3-tetrafluoropropoxy)propane
CID 97290815

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane?
The IUPAC name of 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane (CID 2778295) is 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane.
What is the SMILES notation for 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane?
The canonical SMILES for 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane is FC(F)(F)COC(F)(Br)C(F)(Br)C(F)(F)F.
What is the InChIKey of 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane?
The InChIKey is VUXWJSADJYWRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Br2F8O/c6-3(11,5(13,14)15)4(7,12)16-1-2(8,9)10/h1H2.
What are the key properties of 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane?
1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane has a molecular weight of 389.86 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane is sourced from PubChem (CID 2778295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).