CAS RN: 1187928-91-1
(R)-2-TRIFLUOROMETHYL-PIPERAZINE
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.20250711 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1187928-91-1
- Purity/Analytical Methods: >99.0%
1187928-91-1 / (2R)-2-(trifluoromethyl)piperazine
2-(Trifluoromethyl)piperazine | 2-trifluoromethyl-piperazine | PIPERAZINE, 2-(TRIFLUOROMETHYL)-
Basic Information
CAS
1187928-91-1
Multi CAS
Yes
Molecular Formula
C5H9F3N2
Molecular Weight
154.130000
Exact Mass
154.071783
SMILES
C1CN[C@H](CN1)C(F)(F)F
InChI
InChI=1S/C5H9F3N2/c6-5(7,8)4-3-9-1-2-10-4/h4,9-10H,1-3H2/t4-/m1/s1
InChIKey
YNEJOOCZWXGXDU-SCSAIBSYSA-N
Synonyms
2-(Trifluoromethyl)piperazine
2-trifluoromethyl-piperazine
PIPERAZINE, 2-(TRIFLUOROMETHYL)-
MFCD07373382
(+/-)-2-(trifluoromethyl)piperazine
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.72
TPSA
24.06
LogP / Solubility
WLOGP
0.11
MLOGP
0.09
XLogP3
0.3
Consensus LogP
0.17
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very 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)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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