CAS 326-90-9|4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione|4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione|1-(Fur-2-yl)-4,4,4-trifluorobutane-1,3-dione, tech|2-(3-Oxo-4,4,4-trifluorobutanoyl)furan|4,4,...

General Information

Structure

Molecular Formula

C₈H₅F₃O₃

Molecular Mass

206.1187096

Exact Mass

206.01907868

Charge

InChI

InChI=1S/C8H5F3O3/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2

InChIKey

OWLPCALGCHDBCN-UHFFFAOYSA-N

Canonic Smiles

O=C(C(F)(F)F)CC(=O)c1ccco1

Isomeric Smiles

c1ccoc1C(=O)CC(=O)C(F)(F)F

Calculated Properties

JChem

Acid pKa

6.63102

H Acceptors

H Donor

LogD (pH = 5.5)

1.9143567

LogD (pH = 7.4)

1.1097404

Log P

1.9453226

Molar Refractivity

39.7571

Polarizability

14.444322

Polar Surface Area

47.28

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione1-(Fur-2-yl)-4,4,4-trifluorobutane-1,3-dione, tech2-(3-Oxo-4,4,4-trifluorobutanoyl)furan2-FUROYL TRIFLUORO ACETONE4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione4,4,4-三氟-1-(2-呋喃基)-1,3-丁二酮1-(Fur-2-yl)-4,4,4-trifluorobutane-1,3-dione 99%FTAFuroyltrifluoroacetone

IUPAC Traditional name

4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione

IUPAC name

4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione

Names and Identifiers

Registration numbers

CAS Number

326-90-9

MDL Number

MFCD00020935

EC Number

206-315-1