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

C4HBrF8O — CID 44717717

IUPAC1-bromo-1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethane
SMILESFC(OC(F)(F)C(F)(F)Br)C(F)(F)F
InChIInChI=1S/C4HBrF8O/c5-3(10,11)4(12,13)14-1(6)2(7,8)9/h1H
InChIKeyPQYYZHFOOPHVJM-UHFFFAOYSA-N
MW296.94 g/mol
LogP3.44
Rot. Bonds3

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

1-bromo-1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethane (PubChem CID 44717717) has the molecular formula C4HBrF8O and a molecular weight of 296.94 g/mol. Its IUPAC name is 1-bromo-1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethane.

Molecular Properties

Compound Name1-bromo-1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethane
PubChem CID44717717
Molecular FormulaC4HBrF8O
Molecular Weight296.94 g/mol
Exact Mass295.91
IUPAC Name1-bromo-1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethane
SMILESFC(OC(F)(F)C(F)(F)Br)C(F)(F)F
InChIInChI=1S/C4HBrF8O/c5-3(10,11)4(12,13)14-1(6)2(7,8)9/h1H
InChIKeyPQYYZHFOOPHVJM-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.94
LogP ≤ 53.44
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 1-bromo-1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethane?
The IUPAC name of 1-bromo-1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethane (CID 44717717) is 1-bromo-1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethane.
What is the SMILES notation for 1-bromo-1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethane?
The canonical SMILES for 1-bromo-1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethane is FC(OC(F)(F)C(F)(F)Br)C(F)(F)F.
What is the InChIKey of 1-bromo-1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethane?
The InChIKey is PQYYZHFOOPHVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrF8O/c5-3(10,11)4(12,13)14-1(6)2(7,8)9/h1H.
What are the key properties of 1-bromo-1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethane?
1-bromo-1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethane has a molecular weight of 296.94 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethane is sourced from PubChem (CID 44717717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).