CAS 357-83-5|(2-chloro-1,1,2-trifluoroethyl)diethylamine|Yarovenko's reagent|2-Chloro-N,N-diethyl-1,1,2-trifluoroethylamine|(2-chloro-1,1,2-trifluoroethyl)diethylamine|N-(2-Chloro-1,1,2-trifluoroeth...

General Information

Structure

Molecular Formula

C₆H₁₁ClF₃N

Molecular Mass

189.6064496

Exact Mass

189.0532117

Charge

InChI

InChI=1S/C6H11ClF3N/c1-3-11(4-2)6(9,10)5(7)8/h5H,3-4H2,1-2H3

InChIKey

BDZHKUAKSMWSAJ-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.651687

LogD (pH = 7.4)

2.651687

Log P

2.651687

Molar Refractivity

39.5293

Polarizability

14.639371

Polar Surface Area

3.24

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC Traditional name

(2-chloro-1,1,2-trifluoroethyl)diethylamine

Synonyms

Yarovenko's reagent2-Chloro-N,N-diethyl-1,1,2-trifluoroethylamineN-(2-Chloro-1,1,2-trifluoroethyl)diethylamineN,N-二乙基(2-氯-1,1,2-三氟乙基)胺(2-Chloro-1,1,2-trifluoroethyl)-N,N-diethylamineN,N-Diethyl(2-chloro-1,1,2-trifluoroethyl)amine

IUPAC name

(2-chloro-1,1,2-trifluoroethyl)diethylamine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

Beilstein Number

EC Number

PubChem CID

PubChem SID

Registration numbers

Properties

Physical Property

38°C/10mm

1.19

1.190

Product Information

90%

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

From Data Sources

• Fluorinating agent for the conversion of alcohols to alkyl fluorides: Isr. J. Chem.,8, 925 (1970) and especially useful in formation of fluorinated sugars: Carbohydrate Res., 47, 286 (1976).

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Academic Data

Commercial Catalog

Names and Identifiers

IUPAC Traditional name

(2-chloro-1,1,2-trifluoroethyl)diethylamine

Synonyms

IUPAC name

(2-chloro-1,1,2-trifluoroethyl)diethylamine

Registration numbers

CAS Number

MDL Number

Beilstein Number

EC Number

PubChem CID

PubChem SID

References

PubChem Literature

From Data Sources

• Fluorinating agent for the conversion of alcohols to alkyl fluorides: Isr. J. Chem.,8, 925 (1970) and especially useful in formation of fluorinated sugars: Carbohydrate Res., 47, 286 (1976).

Bioactivity

PubChem BioAssay

Properties

Physical Property

38°C/10mm

1.19

1.190

Product Information

90%

Molecule

ID:97540