CAS 309-88-6|N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine 97%|diethyl(1,1,2,3,3,3-hexafluoropropyl)amine|N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine, 40-50% in diglyme|Ishikawa's Reagent|diethyl(...

General Information

Structure

Molecular Formula

C₇H₁₁F₆N

Molecular Mass

223.1593592

Exact Mass

223.07956868

Charge

InChI

InChI=1S/C7H11F6N/c1-3-14(4-2)7(12,13)5(8)6(9,10)11/h5H,3-4H2,1-2H3

InChIKey

BNTFCVMJHBNJAR-UHFFFAOYSA-N

Canonic Smiles

CCN(C(C(C(F)(F)F)F)(F)F)CC

Isomeric Smiles

N(CC)(CC)C(F)(F)C(C(F)(F)F)F

Calculated Properties

JChem

Acid pKa

15.528426

H Acceptors

H Donor

LogD (pH = 5.5)

2.9677773

LogD (pH = 7.4)

2.9677773

Log P

2.9677773

Molar Refractivity

39.7709

Polarizability

14.381502

Polar Surface Area

3.24

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine, 40-50% in diglymeN,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine 97%Ishikawa's ReagentIshikawa 试剂N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamineIshikawa’s ReagentIshikawa's ReagentN,N-二乙基-1,1,2,3,3,3-六氟丙胺石川试剂N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine

IUPAC Traditional name

diethyl(1,1,2,3,3,3-hexafluoropropyl)amine

IUPAC name

diethyl(1,1,2,3,3,3-hexafluoropropyl)amine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Registration numbers

Properties

Product Information

Linear Formula

CF3CHFCF2N(C2H5)2

Purity

90+%

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Apollo Scientific

PC2567

Active fluorinating agent see: Ishikawa, Bull. Chem.Soc. Jpn., 1979, 52, 3377

Sigma Aldrich

564990

Application
Demonstrates utility in fluorination.7
Displays the ability to insert a fluoro(trifluoromethyl) methylene moiety in unsaturated alcohols.
Reactant for:
• Friedel-Crafts type arylation of hydrofluorocarbons1
• Microbial hydroxylation of antibiotics2
• Electrochemical fluorination of trialkylamines and tetraalkylammonium salts3
• Fluorination of pyrethroides4Reactant for synthesis of:
• γ-Hydroxy-α-fluoro-α-trifluoromethylcarboxamide5
• Florfenicol and thiamphenicol6
Packaging
25 g in glass bottle
General description
GC analysis includes Et2NCF=CFCF3 (two isomers), both of which are active fluorinating agents.

Molecule Details

References

PubChem Literature

From Data Sources

• For use in conversion, in ether or THF, of alcohols to alkyl fluorides, see: Bull. Chem. Soc. Jpn., 52, 3377 (1979); J. Fluorine Chem., 31, 135 (1986); 38, 243 (1988). Addition of NaF as a scavenger of the HF liberated in the reaction gives improved results: J. Fluorine Chem., 23, 383 (1983). Carboxylic acids are converted to acyl fluorides: Bull. Chem. Soc. Jpn., 52, 3377 (1979).

• A mixture of N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine and N,N-Diethyl-1,2,3,3,3-pentafluoropropenamine, both of which are active fluorinating agents.

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

IUPAC Traditional name

diethyl(1,1,2,3,3,3-hexafluoropropyl)amine

IUPAC name

diethyl(1,1,2,3,3,3-hexafluoropropyl)amine

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Molecule Details

PC2567

Active fluorinating agent see: Ishikawa, Bull. Chem.Soc. Jpn., 1979, 52, 3377

Sigma Aldrich

564990

References

PubChem Literature

From Data Sources

• A mixture of N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine and N,N-Diethyl-1,2,3,3,3-pentafluoropropenamine, both of which are active fluorinating agents.

Bioactivity

PubChem BioAssay

Properties

Product Information

Linear Formula

CF3CHFCF2N(C2H5)2

Purity

90+%

Molecule

ID:94916