2-bromo-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane

C4H3BrF6O — CID 86205974

IUPAC2-bromo-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane
SMILESFC(Br)C(F)(F)OCC(F)(F)F
InChIInChI=1S/C4H3BrF6O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2
InChIKeySSLSDKDMYHXFFR-UHFFFAOYSA-N
MW260.96 g/mol
LogP2.85
Rot. Bonds3

About 2-bromo-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane

2-bromo-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane (PubChem CID 86205974) has the molecular formula C4H3BrF6O and a molecular weight of 260.96 g/mol. Its IUPAC name is 2-bromo-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane.

Molecular Properties

Compound Name2-bromo-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane
PubChem CID86205974
Molecular FormulaC4H3BrF6O
Molecular Weight260.96 g/mol
Exact Mass259.93
IUPAC Name2-bromo-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane
SMILESFC(Br)C(F)(F)OCC(F)(F)F
InChIInChI=1S/C4H3BrF6O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2
InChIKeySSLSDKDMYHXFFR-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.96
LogP ≤ 52.85
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-bromo-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane?
The IUPAC name of 2-bromo-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane (CID 86205974) is 2-bromo-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane.
What is the SMILES notation for 2-bromo-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane?
The canonical SMILES for 2-bromo-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane is FC(Br)C(F)(F)OCC(F)(F)F.
What is the InChIKey of 2-bromo-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane?
The InChIKey is SSLSDKDMYHXFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrF6O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2.
What are the key properties of 2-bromo-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane?
2-bromo-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane has a molecular weight of 260.96 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane is sourced from PubChem (CID 86205974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).