CAS 1835-65-0|Tetrafluorophthalonitrile 97%|3,4,5,6-Tetrafluorobenzene-1,2-dicarbonitrile|tetrafluorophthalonitrile|tetrafluorobenzene-1,2-dicarbonitrile|3,4,5,6-Tetrafluoro-1,2-benzenedicarbonitril...

Molecular Formula

C₈F₄N₂

Molecular Mass

200.0926128

Exact Mass

199.99976089

InChI

InChI=1S/C8F4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)11

InChIKey

OFLRJMBSWDXSPG-UHFFFAOYSA-N

Canonic Smiles

N#Cc1c(C#N)c(F)c(c(c1F)F)F

Isomeric Smiles

Fc1c(c(c(c(c1C#N)C#N)F)F)F

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.2562459

LogD (pH = 7.4)

2.2562459

Log P

2.2562459

Molar Refractivity

38.3668

Polarizability

13.307261

Polar Surface Area

47.58

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

74600

Synonyms

Tetrafluorophthalonitrile 97%3,4,5,6-Tetrafluorobenzene-1,2-dicarbonitrile3,4,5,6-Tetrafluoro-1,2-benzenedicarbonitrileTetrafluorophthalonitrile3,4,5,6-四氟邻苯二甲腈四氟邻苯二腈3,4,5,6-四氟邻苯二腈tetrafluorobenzene-1,2-dicarbonitrile1,2-Dicyano-3,4,5,6-tetrafluorobenzene

IUPAC Traditional name

tetrafluorophthalonitrile

IUPAC name

tetrafluorobenzene-1,2-dicarbonitrile

MDL Number

MFCD00001774

CAS Number

1835-65-0

PubChem SID

16208557524851797

Physical Property

Melting Point