CAS RN: 1682-66-2
N-Ethyl-2,2,2-trifluoroacetamide
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.20260522 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1682-66-2
- Purity/Analytical Methods: >99.0%
1682-66-2 / N-ethyl-2,2,2-trifluoroacetamide
Basic Information
CAS
1682-66-2
Multi CAS
No
Molecular Formula
C4H6F3NO
Molecular Weight
141.090000
Exact Mass
141.040148
SMILES
CCNC(=O)C(F)(F)F
InChI
InChI=1S/C4H6F3NO/c1-2-8-3(9)4(5,6)7/h2H2,1H3,(H,8,9)
InChIKey
SVEZGQGDAZLHQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
24.74
TPSA
29.1
LogP / Solubility
WLOGP
0.68
MLOGP
0.6
XLogP3
1
Consensus LogP
0.76
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
Class (SILICOS-IT)
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)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
4-[3-(TRIFLUOROMETHYL)PHENYL]-4-PIPERIDINOL HYDROCHLORIDE
- CAS RN: 1683-49-4
- Product Code: starshine_CAS1683-49-4
- Purity/Analytical method: >99.0%
-
Pyrimidine, 2-amino-4-chloro-5-fluoro- (7CI,8CI)
- CAS RN: 1683-75-6
- Product Code: SSC-073370
-
-
-
![CAS 1683-49-4 4-[3-(TRIFLUOROMETHYL)PHENYL]-4-PIPERIDINOL HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1683-49-4.gif)
