(2R)-1,2-dibromo-1,1,2-trifluoro-2-(trifluoromethoxy)ethane

C3Br2F6O — CID 7191859

IUPAC(2R)-1,2-dibromo-1,1,2-trifluoro-2-(trifluoromethoxy)ethane
SMILESFC(F)(F)O[C@](F)(Br)C(F)(F)Br
InChIInChI=1S/C3Br2F6O/c4-1(6,7)2(5,8)12-3(9,10)11/t2-/m0/s1
InChIKeyYFDBNXBLJICGCE-REOHCLBHSA-N
MW325.83 g/mol
LogP3.53
Rot. Bonds2

About (2R)-1,2-dibromo-1,1,2-trifluoro-2-(trifluoromethoxy)ethane

(2R)-1,2-dibromo-1,1,2-trifluoro-2-(trifluoromethoxy)ethane (PubChem CID 7191859) has the molecular formula C3Br2F6O and a molecular weight of 325.83 g/mol. Its IUPAC name is (2R)-1,2-dibromo-1,1,2-trifluoro-2-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name(2R)-1,2-dibromo-1,1,2-trifluoro-2-(trifluoromethoxy)ethane
PubChem CID7191859
Molecular FormulaC3Br2F6O
Molecular Weight325.83 g/mol
Exact Mass323.82
IUPAC Name(2R)-1,2-dibromo-1,1,2-trifluoro-2-(trifluoromethoxy)ethane
SMILESFC(F)(F)O[C@](F)(Br)C(F)(F)Br
InChIInChI=1S/C3Br2F6O/c4-1(6,7)2(5,8)12-3(9,10)11/t2-/m0/s1
InChIKeyYFDBNXBLJICGCE-REOHCLBHSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.83
LogP ≤ 53.53
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 (2R)-1,2-dibromo-1,1,2-trifluoro-2-(trifluoromethoxy)ethane?
The IUPAC name of (2R)-1,2-dibromo-1,1,2-trifluoro-2-(trifluoromethoxy)ethane (CID 7191859) is (2R)-1,2-dibromo-1,1,2-trifluoro-2-(trifluoromethoxy)ethane.
What is the SMILES notation for (2R)-1,2-dibromo-1,1,2-trifluoro-2-(trifluoromethoxy)ethane?
The canonical SMILES for (2R)-1,2-dibromo-1,1,2-trifluoro-2-(trifluoromethoxy)ethane is FC(F)(F)O[C@](F)(Br)C(F)(F)Br.
What is the InChIKey of (2R)-1,2-dibromo-1,1,2-trifluoro-2-(trifluoromethoxy)ethane?
The InChIKey is YFDBNXBLJICGCE-REOHCLBHSA-N. The full InChI is InChI=1S/C3Br2F6O/c4-1(6,7)2(5,8)12-3(9,10)11/t2-/m0/s1.
What are the key properties of (2R)-1,2-dibromo-1,1,2-trifluoro-2-(trifluoromethoxy)ethane?
(2R)-1,2-dibromo-1,1,2-trifluoro-2-(trifluoromethoxy)ethane has a molecular weight of 325.83 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-dibromo-1,1,2-trifluoro-2-(trifluoromethoxy)ethane is sourced from PubChem (CID 7191859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).