CAS RN: 124185-34-8
2,3-DIFLUORO-6-(TRIFLUOROMETHYL)ANILINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260701 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS124185-34-8
- Purity/Analytical Methods: >99.0%
124185-34-8 / 2,3-difluoro-6-(trifluoromethyl)aniline
Basic Information
CAS
124185-34-8
Multi CAS
No
Molecular Formula
C7H4F5N
Molecular Weight
197.100000
Exact Mass
197.026390
SMILES
C1=CC(=C(C(=C1C(F)(F)F)N)F)F
InChI
InChI=1S/C7H4F5N/c8-4-2-1-3(7(10,11)12)6(13)5(4)9/h1-2H,13H2
InChIKey
JRUZXPMLPYDZBR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.77
TPSA
26.02
LogP / Solubility
WLOGP
2.57
MLOGP
2.26
XLogP3
2.3
Consensus LogP
2.38
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly 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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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