CAS 1514-82-5|2-bromo-3,3,3-trifluoroprop-1-ene|2-Bromo-3,3,3-trifluoropropene|2-bromo-3,3,3-trifluoroprop-1-ene|2-Bromo-3,3,3-trifluoroprop-1-ene 98%|2-bromo-3,3,3-trifluoroprop-1-ene|2-溴-3,3,3-三...

General Information

Structure

Molecular Formula

C₃H₂BrF₃

Molecular Mass

174.9471896

Exact Mass

173.92919672

Charge

InChI

InChI=1S/C3H2BrF3/c1-2(4)3(5,6)7/h1H2

InChIKey

QKBKGNDTLQFSEU-UHFFFAOYSA-N

Canonic Smiles

BrC(=C)C(F)(F)F

Isomeric Smiles

C(=C)(C(F)(F)F)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.259342

LogD (pH = 7.4)

2.259342

Log P

2.259342

Molar Refractivity

24.116

Polarizability

8.91776

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2-bromo-3,3,3-trifluoroprop-1-ene

Synonyms

2-Bromo-3,3,3-trifluoropropene2-Bromo-3,3,3-trifluoroprop-1-ene 98%2-bromo-3,3,3-trifluoroprop-1-ene2-溴-3,3,3-三氟-1-丙烯2-Bromo-3,3,3-trifluoro-1-propene2-Bromo-3,3,3-trifluoro-1-propene2-溴-3,3,3-三氟丙烯

IUPAC Traditional name

2-bromo-3,3,3-trifluoroprop-1-ene

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

PubChem CID

MDL Number

Registration numbers

Properties

Product Information

98%

97%

95%

BrC(CF3)=CH2

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Apollo Scientific

PC1602

Versatile CF3 building block: Hu et al, J. Chem Soc., Perkin Trans. 1, 1998, 2, 279. Precursor for PC77612-(Trifluoromethyl)acrylic acid : JOC., 1989 , 54.

Sigma Aldrich

561002

Packaging
1, 5 g in ampule

Molecule Details

References

PubChem Literature

From Data Sources

• Precursor of 1-(trifluoromethylvinyl) organometallic species which permit the introduction of this useful fragment into a variety of molecules. For a review, see: Tetrahedron, 50, 2993 (1994).

• Treatment with LDA gives a trifluoromethylacetylene anion synthon which reacts with electrophiles to give trifluoromethylethynyl products: J. Fluorine Chem., 80, 145 (1996).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

2-bromo-3,3,3-trifluoroprop-1-ene

Synonyms

IUPAC Traditional name

2-bromo-3,3,3-trifluoroprop-1-ene

Registration numbers

CAS Number

PubChem SID

PubChem CID

MDL Number

Molecule Details

PC1602

Versatile CF3 building block: Hu et al, J. Chem Soc., Perkin Trans. 1, 1998, 2, 279. Precursor for PC77612-(Trifluoromethyl)acrylic acid : JOC., 1989 , 54.

Sigma Aldrich

561002

Packaging
1, 5 g in ampule

References

PubChem Literature

From Data Sources

• Precursor of 1-(trifluoromethylvinyl) organometallic species which permit the introduction of this useful fragment into a variety of molecules. For a review, see: Tetrahedron, 50, 2993 (1994).

• Treatment with LDA gives a trifluoromethylacetylene anion synthon which reacts with electrophiles to give trifluoromethylethynyl products: J. Fluorine Chem., 80, 145 (1996).

Bioactivity

PubChem BioAssay

Properties

Product Information

98%

97%

95%

BrC(CF3)=CH2

Molecule

ID:6490