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

C4HBrF8O — CID 91694741

IUPAC1-bromo-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane
SMILESFC(F)C(F)(F)OC(F)(F)C(F)(F)Br
InChIInChI=1S/C4HBrF8O/c5-3(10,11)4(12,13)14-2(8,9)1(6)7/h1H
InChIKeyROVZGEWCLKGWIX-UHFFFAOYSA-N
MW296.94 g/mol
LogP3.44
Rot. Bonds4

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

1-bromo-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane (PubChem CID 91694741) 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-(1,1,2,2-tetrafluoroethoxy)ethane.

Molecular Properties

Compound Name1-bromo-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane
PubChem CID91694741
Molecular FormulaC4HBrF8O
Molecular Weight296.94 g/mol
Exact Mass295.91
IUPAC Name1-bromo-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane
SMILESFC(F)C(F)(F)OC(F)(F)C(F)(F)Br
InChIInChI=1S/C4HBrF8O/c5-3(10,11)4(12,13)14-2(8,9)1(6)7/h1H
InChIKeyROVZGEWCLKGWIX-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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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Related Compounds

2-Bromo-1-(2-bromo-1,1-difluoroethoxy)-1,1-difluoroethane
CID 86219981
1-bromo-1,1,2,2-tetrafluoro-2-[(1R)-1,2,2,2-tetrafluoroethoxy]ethane
CID 98048192
1-Bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane
CID 2783379
2-(2-Bromo-2,2-difluoroethoxy)-1,1,1-trifluoroethane
CID 18368470
1-(1-Bromo-2,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethane
CID 71366137
1-(1,2-Dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropane
CID 89233684
1-Bromo-1,1,2,2-tetrafluoro-2-(2,2,2-trifluoroethoxy)ethane
CID 89517140
2-Bromo-1-(2-bromo-1,1,2-trifluoroethoxy)-1,1,2-trifluoroethane
CID 151015260
1-Bromo-1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethane
CID 44717717
(1R)-1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane
CID 51439994
(1S)-1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane
CID 51439995
1,2-Dibromo-1,1,2-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane
CID 85559792

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane?
The IUPAC name of 1-bromo-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane (CID 91694741) is 1-bromo-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane.
What is the SMILES notation for 1-bromo-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane?
The canonical SMILES for 1-bromo-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane is FC(F)C(F)(F)OC(F)(F)C(F)(F)Br.
What is the InChIKey of 1-bromo-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane?
The InChIKey is ROVZGEWCLKGWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrF8O/c5-3(10,11)4(12,13)14-2(8,9)1(6)7/h1H.
What are the key properties of 1-bromo-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane?
1-bromo-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane has a molecular weight of 296.94 g/mol, XLogP of 3.44, 4 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-(1,1,2,2-tetrafluoroethoxy)ethane is sourced from PubChem (CID 91694741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).