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

C4H2BrF7O — CID 71366137

IUPAC2-bromo-1,1,1-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane
SMILESFC(F)C(F)(F)OC(Br)C(F)(F)F
InChIInChI=1S/C4H2BrF7O/c5-1(3(8,9)10)13-4(11,12)2(6)7/h1-2H
InChIKeyMPURDVJIOYWODR-UHFFFAOYSA-N
MW278.95 g/mol
LogP3.14
Rot. Bonds3

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

2-bromo-1,1,1-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane (PubChem CID 71366137) has the molecular formula C4H2BrF7O and a molecular weight of 278.95 g/mol. Its IUPAC name is 2-bromo-1,1,1-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane.

Molecular Properties

Compound Name2-bromo-1,1,1-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane
PubChem CID71366137
Molecular FormulaC4H2BrF7O
Molecular Weight278.95 g/mol
Exact Mass277.92
IUPAC Name2-bromo-1,1,1-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane
SMILESFC(F)C(F)(F)OC(Br)C(F)(F)F
InChIInChI=1S/C4H2BrF7O/c5-1(3(8,9)10)13-4(11,12)2(6)7/h1-2H
InChIKeyMPURDVJIOYWODR-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.95
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1,1-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane?
The IUPAC name of 2-bromo-1,1,1-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane (CID 71366137) is 2-bromo-1,1,1-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane.
What is the SMILES notation for 2-bromo-1,1,1-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane?
The canonical SMILES for 2-bromo-1,1,1-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane is FC(F)C(F)(F)OC(Br)C(F)(F)F.
What is the InChIKey of 2-bromo-1,1,1-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane?
The InChIKey is MPURDVJIOYWODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrF7O/c5-1(3(8,9)10)13-4(11,12)2(6)7/h1-2H.
What are the key properties of 2-bromo-1,1,1-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane?
2-bromo-1,1,1-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane has a molecular weight of 278.95 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1,1-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane is sourced from PubChem (CID 71366137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).