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

C3BrF7O — CID 13058064

IUPAC1-bromo-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane
SMILESFC(F)(F)OC(F)(F)C(F)(F)Br
InChIInChI=1S/C3BrF7O/c4-1(5,6)2(7,8)12-3(9,10)11
InChIKeySGIPVGMKPYJVLG-UHFFFAOYSA-N
MW264.92 g/mol
LogP3.10
Rot. Bonds2

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

1-bromo-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane (PubChem CID 13058064) has the molecular formula C3BrF7O and a molecular weight of 264.92 g/mol. Its IUPAC name is 1-bromo-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name1-bromo-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane
PubChem CID13058064
Molecular FormulaC3BrF7O
Molecular Weight264.92 g/mol
Exact Mass263.90
IUPAC Name1-bromo-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane
SMILESFC(F)(F)OC(F)(F)C(F)(F)Br
InChIInChI=1S/C3BrF7O/c4-1(5,6)2(7,8)12-3(9,10)11
InChIKeySGIPVGMKPYJVLG-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.92
LogP ≤ 53.10
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-(trifluoromethoxy)ethane?
The IUPAC name of 1-bromo-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane (CID 13058064) is 1-bromo-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane.
What is the SMILES notation for 1-bromo-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane?
The canonical SMILES for 1-bromo-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane is FC(F)(F)OC(F)(F)C(F)(F)Br.
What is the InChIKey of 1-bromo-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane?
The InChIKey is SGIPVGMKPYJVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3BrF7O/c4-1(5,6)2(7,8)12-3(9,10)11.
What are the key properties of 1-bromo-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane?
1-bromo-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane has a molecular weight of 264.92 g/mol, XLogP of 3.10, 2 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-(trifluoromethoxy)ethane is sourced from PubChem (CID 13058064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).