CAS RN: 2026-70-2
METHYL-(3-TRIFLUOROMETHYL-PHENYL)-AMINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250101 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS2026-70-2
- Purity/Analytical Methods: >99.0%
2026-70-2 / N-methyl-3-(trifluoromethyl)aniline
Basic Information
CAS
2026-70-2
Multi CAS
No
Molecular Formula
C8H8F3N
Molecular Weight
175.150000
Exact Mass
175.060884
SMILES
CNC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C8H8F3N/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5,12H,1H3
InChIKey
SRTKIHVQZYXHHJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.99
TPSA
12.03
LogP / Solubility
WLOGP
2.75
MLOGP
2.41
XLogP3
3.3
Consensus LogP
2.82
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
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)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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