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

C5H8BrF3O — CID 134920416

IUPAC1-(2-bromo-1,1,2-trifluoroethoxy)propane
SMILESCCCOC(F)(F)C(F)Br
InChIInChI=1S/C5H8BrF3O/c1-2-3-10-5(8,9)4(6)7/h4H,2-3H2,1H3
InChIKeyYPYJBXISUJKXHD-UHFFFAOYSA-N
MW221.02 g/mol
LogP2.70
Rot. Bonds4

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

1-(2-bromo-1,1,2-trifluoroethoxy)propane (PubChem CID 134920416) has the molecular formula C5H8BrF3O and a molecular weight of 221.02 g/mol. Its IUPAC name is 1-(2-bromo-1,1,2-trifluoroethoxy)propane.

Molecular Properties

Compound Name1-(2-bromo-1,1,2-trifluoroethoxy)propane
PubChem CID134920416
Molecular FormulaC5H8BrF3O
Molecular Weight221.02 g/mol
Exact Mass219.97
IUPAC Name1-(2-bromo-1,1,2-trifluoroethoxy)propane
SMILESCCCOC(F)(F)C(F)Br
InChIInChI=1S/C5H8BrF3O/c1-2-3-10-5(8,9)4(6)7/h4H,2-3H2,1H3
InChIKeyYPYJBXISUJKXHD-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.02
LogP ≤ 52.70
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-Bromo-1,1,2-trifluoroethyl ethyl ether
CID 136222
2-(2-Bromoethoxy)-1,1,1-trifluoroethane
CID 19828971
3-(2-Bromoethoxy)-1,1,2,2-tetrafluoropropane
CID 29004764
2-(2-Bromoethoxy)-1,1-difluoroethane
CID 75525671
2-Bromo-1-ethoxy-1,1-difluoroethane
CID 119095764
2,2-Dibromo-1-ethoxy-1,1-difluoroethane
CID 119095856
3-(2-Bromoethoxy)-1,1,1,2,2-pentafluoropropane
CID 75525665
1-Bromo-2,2-difluoro-3-methoxypropane
CID 138040027
1-(2-Bromoethoxy)-3-fluoropropane
CID 165994432
2-(Bromomethyl)-1,1,1-trifluoro-3-methoxypropane
CID 177798653
2,3-Dibromo-3-ethoxy-1,1,1-trifluoropropane
CID 10518283
1-(2-Bromo-1,1-difluoroethoxy)propane
CID 134920415

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1,1,2-trifluoroethoxy)propane?
The IUPAC name of 1-(2-bromo-1,1,2-trifluoroethoxy)propane (CID 134920416) is 1-(2-bromo-1,1,2-trifluoroethoxy)propane.
What is the SMILES notation for 1-(2-bromo-1,1,2-trifluoroethoxy)propane?
The canonical SMILES for 1-(2-bromo-1,1,2-trifluoroethoxy)propane is CCCOC(F)(F)C(F)Br.
What is the InChIKey of 1-(2-bromo-1,1,2-trifluoroethoxy)propane?
The InChIKey is YPYJBXISUJKXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrF3O/c1-2-3-10-5(8,9)4(6)7/h4H,2-3H2,1H3.
What are the key properties of 1-(2-bromo-1,1,2-trifluoroethoxy)propane?
1-(2-bromo-1,1,2-trifluoroethoxy)propane has a molecular weight of 221.02 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1,1,2-trifluoroethoxy)propane is sourced from PubChem (CID 134920416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).