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

C5H8BrF3O — CID 15921667

IUPAC2-(2-bromo-1,1,2-trifluoroethoxy)propane
SMILESCC(C)OC(F)(F)C(F)Br
InChIInChI=1S/C5H8BrF3O/c1-3(2)10-5(8,9)4(6)7/h3-4H,1-2H3
InChIKeyMTDLMJOTXACDDW-UHFFFAOYSA-N
MW221.02 g/mol
LogP2.69
Rot. Bonds3

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

2-(2-bromo-1,1,2-trifluoroethoxy)propane (PubChem CID 15921667) has the molecular formula C5H8BrF3O and a molecular weight of 221.02 g/mol. Its IUPAC name is 2-(2-bromo-1,1,2-trifluoroethoxy)propane.

Molecular Properties

Compound Name2-(2-bromo-1,1,2-trifluoroethoxy)propane
PubChem CID15921667
Molecular FormulaC5H8BrF3O
Molecular Weight221.02 g/mol
Exact Mass219.97
IUPAC Name2-(2-bromo-1,1,2-trifluoroethoxy)propane
SMILESCC(C)OC(F)(F)C(F)Br
InChIInChI=1S/C5H8BrF3O/c1-3(2)10-5(8,9)4(6)7/h3-4H,1-2H3
InChIKeyMTDLMJOTXACDDW-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.02
LogP ≤ 52.69
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
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
1-(2-Bromo-1,1,2-trifluoroethoxy)-2-methylpropane
CID 139683176

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-1,1,2-trifluoroethoxy)propane?
The IUPAC name of 2-(2-bromo-1,1,2-trifluoroethoxy)propane (CID 15921667) is 2-(2-bromo-1,1,2-trifluoroethoxy)propane.
What is the SMILES notation for 2-(2-bromo-1,1,2-trifluoroethoxy)propane?
The canonical SMILES for 2-(2-bromo-1,1,2-trifluoroethoxy)propane is CC(C)OC(F)(F)C(F)Br.
What is the InChIKey of 2-(2-bromo-1,1,2-trifluoroethoxy)propane?
The InChIKey is MTDLMJOTXACDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrF3O/c1-3(2)10-5(8,9)4(6)7/h3-4H,1-2H3.
What are the key properties of 2-(2-bromo-1,1,2-trifluoroethoxy)propane?
2-(2-bromo-1,1,2-trifluoroethoxy)propane has a molecular weight of 221.02 g/mol, XLogP of 2.69, 3 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)propane is sourced from PubChem (CID 15921667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).