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

C5H2Br2F8O — CID 97290831

IUPAC(1R,2R)-1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane
SMILESFC(F)(F)CO[C@](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/t3-,4+/m1/s1
InChIKeyVUXWJSADJYWRST-DMTCNVIQSA-N
MW389.86 g/mol
LogP4.21
Rot. Bonds3

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

(1R,2R)-1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane (PubChem CID 97290831) has the molecular formula C5H2Br2F8O and a molecular weight of 389.86 g/mol. Its IUPAC name is (1R,2R)-1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane.

Molecular Properties

Compound Name(1R,2R)-1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane
PubChem CID97290831
Molecular FormulaC5H2Br2F8O
Molecular Weight389.86 g/mol
Exact Mass387.83
IUPAC Name(1R,2R)-1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane
SMILESFC(F)(F)CO[C@](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/t3-,4+/m1/s1
InChIKeyVUXWJSADJYWRST-DMTCNVIQSA-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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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane?
The IUPAC name of (1R,2R)-1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane (CID 97290831) is (1R,2R)-1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane.
What is the SMILES notation for (1R,2R)-1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane?
The canonical SMILES for (1R,2R)-1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane is FC(F)(F)CO[C@](F)(Br)[C@](F)(Br)C(F)(F)F.
What is the InChIKey of (1R,2R)-1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane?
The InChIKey is VUXWJSADJYWRST-DMTCNVIQSA-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/t3-,4+/m1/s1.
What are the key properties of (1R,2R)-1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane?
(1R,2R)-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 (1R,2R)-1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane is sourced from PubChem (CID 97290831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).