CAS 685-27-8|2,2,2-Trifluoro-N-methyl-N-(2,2,2-trifluoroacetyl)acetamide|2,2,2-trifluoro-N-methyl-N-(trifluoroacetyl)acetamide|2,2,2-trifluoro-N-methyl-N-(trifluoroacetyl)acetamide|N-METHYL-bis-(TRI...

General Information

Structure

Molecular Formula

C₅H₃F₆NO₂

Molecular Mass

223.0732392

Exact Mass

223.00679766

Charge

InChI

InChI=1S/C5H3F6NO2/c1-12(2(13)4(6,7)8)3(14)5(9,10)11/h1H3

InChIKey

AWGBWLXGUPTXHF-UHFFFAOYSA-N

Canonic Smiles

CN(C(=O)C(F)(F)F)C(=O)C(F)(F)F

Isomeric Smiles

C(=O)(N(C)C(=O)C(F)(F)F)C(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.4466534

LogD (pH = 7.4)

1.4466534

Log P

1.4466534

Molar Refractivity

30.9489

Polarizability

11.311375

Polar Surface Area

37.38

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

2,2,2-trifluoro-N-methyl-N-(trifluoroacetyl)acetamide

IUPAC name

2,2,2-trifluoro-N-methyl-N-(trifluoroacetyl)acetamide

Synonyms

2,2,2-Trifluoro-N-methyl-N-(2,2,2-trifluoroacetyl)acetamideMBTFAN-METHYL-bis-(TRI-FLUOROACETAMIDE)N-Methyl-bis(trifluoroacetamide)N-甲基-双(三氟乙酰胺)N-Methylbis(trifluoroacetamide) 98%N,N-Bis(trifluoroacetyl)methylamineN-Methylbis(trifluoroacetamide) 99+%N-Methyl-2,2,2-trifluoro-N-(trifluoroacetyl)acetamide

Names and Identifiers

Registration numbers

CAS Number

685-27-8

Beilstein Number

1878402

MDL Number

MFCD00000412

PubChem SID

2489657216205780024884423

EC Number

211-680-5