![CAS 1213841-80-5 (1R)-2,2,2-TRIFLUORO-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB8393591.gif)
CAS RN: 1213841-80-5
(1R)-2,2,2-TRIFLUORO-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250316 | 100mg | In stock | Shanghai | Inquiry |
- Product code: SSC-023496
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1213841-80-5 / (1R)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanamine
Basic Information
CAS
1213841-80-5
Multi CAS
No
Molecular Formula
C9H7F6N
Molecular Weight
243.150000
Exact Mass
243.048268
SMILES
C1=CC(=CC(=C1)C(F)(F)F)[C@H](C(F)(F)F)N
InChI
InChI=1S/C9H7F6N/c10-8(11,12)6-3-1-2-5(4-6)7(16)9(13,14)15/h1-4,7H,16H2/t7-/m1/s1
InChIKey
TYGZOSNZKNDNRT-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.43
TPSA
26.02
LogP / Solubility
WLOGP
3.27
MLOGP
2.88
XLogP3
2.8
Consensus LogP
2.98
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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