CAS RN: 151198-85-5
N-(Trifluoromethanesulfonyl)trifluoroacetamide
- Product code: SSC-061081
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: 1g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
151198-85-5 / 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)acetamide
Basic Information
CAS
151198-85-5
Multi CAS
No
Molecular Formula
C3HF6NO3S
Molecular Weight
245.100000
Exact Mass
244.958133
SMILES
C(=O)(C(F)(F)F)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C3HF6NO3S/c4-2(5,6)1(11)10-14(12,13)3(7,8)9/h(H,10,11)
InChIKey
CFYBHDCZEADVJH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
29.17
TPSA
63.24
LogP / Solubility
WLOGP
0.51
MLOGP
0.46
XLogP3
1.4
Consensus LogP
0.79
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-3.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
