2-(2-bromo-1,1,2-trifluoroethoxy)butane

C6H10BrF3O — CID 139683186

IUPAC2-(2-bromo-1,1,2-trifluoroethoxy)butane
SMILESCCC(C)OC(F)(F)C(F)Br
InChIInChI=1S/C6H10BrF3O/c1-3-4(2)11-6(9,10)5(7)8/h4-5H,3H2,1-2H3
InChIKeyVQFVSWIUYMOGKH-UHFFFAOYSA-N
MW235.04 g/mol
LogP3.08
Rot. Bonds4

About 2-(2-bromo-1,1,2-trifluoroethoxy)butane

2-(2-bromo-1,1,2-trifluoroethoxy)butane (PubChem CID 139683186) has the molecular formula C6H10BrF3O and a molecular weight of 235.04 g/mol. Its IUPAC name is 2-(2-bromo-1,1,2-trifluoroethoxy)butane.

Molecular Properties

Compound Name2-(2-bromo-1,1,2-trifluoroethoxy)butane
PubChem CID139683186
Molecular FormulaC6H10BrF3O
Molecular Weight235.04 g/mol
Exact Mass233.99
IUPAC Name2-(2-bromo-1,1,2-trifluoroethoxy)butane
SMILESCCC(C)OC(F)(F)C(F)Br
InChIInChI=1S/C6H10BrF3O/c1-3-4(2)11-6(9,10)5(7)8/h4-5H,3H2,1-2H3
InChIKeyVQFVSWIUYMOGKH-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.04
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Bromoethoxy)-1,1-difluorocyclopropane
CID 122163985
1-(2-Bromo-1,1,2-trifluoroethoxy)propane
CID 134920416
2-(2-Bromoethoxy)-1,1,1,2,3,3,3-heptafluoropropane
CID 59650117
1-(2-Bromo-1,1-difluoroethoxy)propane
CID 134920415
1-(2,2-Dibromo-1,1-difluoroethoxy)propane
CID 134922201
2-(2-Bromo-1,1,2-trifluoroethoxy)propane
CID 15921667
1-Bromo-3-(2,2,2-trifluoroethoxy)propane
CID 43135433
2-(3-Bromopropoxy)-1,1,1,3,3,3-hexafluoropropane
CID 58901270
2-(3-Bromopropoxy)-1,1,1-trifluoropropane
CID 66275232
1-Bromo-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butane
CID 102722024
1-Bromo-1,1,2-trifluoro-2-(trifluoromethoxy)ethane;2-propan-2-yloxypropane
CID 118559839
(1S)-1-bromo-1-(2,2,2-trifluoroethoxy)propane
CID 135290113

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-1,1,2-trifluoroethoxy)butane?
The IUPAC name of 2-(2-bromo-1,1,2-trifluoroethoxy)butane (CID 139683186) is 2-(2-bromo-1,1,2-trifluoroethoxy)butane.
What is the SMILES notation for 2-(2-bromo-1,1,2-trifluoroethoxy)butane?
The canonical SMILES for 2-(2-bromo-1,1,2-trifluoroethoxy)butane is CCC(C)OC(F)(F)C(F)Br.
What is the InChIKey of 2-(2-bromo-1,1,2-trifluoroethoxy)butane?
The InChIKey is VQFVSWIUYMOGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrF3O/c1-3-4(2)11-6(9,10)5(7)8/h4-5H,3H2,1-2H3.
What are the key properties of 2-(2-bromo-1,1,2-trifluoroethoxy)butane?
2-(2-bromo-1,1,2-trifluoroethoxy)butane has a molecular weight of 235.04 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-1,1,2-trifluoroethoxy)butane is sourced from PubChem (CID 139683186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).