CAS RN: 89992-50-7
2,3,5,6-Tetrafluoro-1,4-benzenedimethanamine
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: starshine_CAS89992-50-7
- Purity/Analytical Methods: >99.0%
89992-50-7 / [4-(aminomethyl)-2,3,5,6-tetrafluorophenyl]methanamine
Basic Information
CAS
89992-50-7
Multi CAS
Yes
Molecular Formula
C8F4H8N2
Molecular Weight
208.160000
Exact Mass
208.062361
InChI
InChI=1S/C8H8F4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h1-2,13-14H2
InChIKey
SLOZZSUAGFSGIC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.06
TPSA
52.04
LogP / Solubility
WLOGP
1.16
MLOGP
1.02
Consensus LogP
0.73
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-Cyanoethyl N,N-diisopropylchlorophosphoramidite
- CAS RN: 89992-70-1
- Product Code: starshine_CAS89992-70-1
- Purity/Analytical method: >99.0%
-
Phosphonium, (2-aminoethyl)triphenyl-, bromide
- CAS RN: 89996-00-9
- Product Code: SSC-202259
-
Phosphonium, (3-aminopropyl)triphenyl-, bromide
- CAS RN: 89996-01-0
- Product Code: SSC-202260
-
-
Agatharesinol acetonide
- CAS RN: 800389-33-7
- Product Code: starshine_CAS800389-33-7
- Purity/Analytical method: >99.0%
-
Tris[2-(p-tolyl)pyridine]iridium(III)
- CAS RN: 800394-58-5
- Product Code: starshine_CAS800394-58-5
- Purity/Analytical method: >99.0%
![CAS 800394-58-5 Tris[2-(p-tolyl)pyridine]iridium(III) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/800394-58-5.gif)