![CAS 69804-19-9 2,2,3,3-Tetrafluoro-3-[[1,1,1,2,3,3-hexafluoro-3-[(1,2,2-trifluorovinyl)oxy]propan-2-yl]oxy]propionitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3493-jpgcontextbwfzdgvyfhjvb3r8mjg0ndz8aw1hz2uvanblz3xoowevagzllzg5mzi3mte3mjcxmzqvvdm0otmuanbnfgi5n2i0zdi2owu3mjrmzwuzzjk3ytyzmdbjzdrmmwzmmznmngjkntk0mwi0mmnmmjfjytllzmqznzu2odjlmmu.jpeg)
CAS RN: 69804-19-9
2,2,3,3-Tetrafluoro-3-[[1,1,1,2,3,3-hexafluoro-3-[(1,2,2-trifluorovinyl)oxy]propan-2-yl]oxy]propionitrile
- Product code: SSC-179576
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
69804-19-9 / 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropanenitrile
Basic Information
CAS
69804-19-9
Multi CAS
Yes
Molecular Formula
C8F13NO2
Molecular Weight
389.070000
Exact Mass
388.972144
InChI
InChI=1S/C8F13NO2/c9-2(10)3(11)23-8(20,21)5(14,6(15,16)17)24-7(18,19)4(12,13)1-22
InChIKey
LYIPDZSLYLDLCU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.62
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
42.87
TPSA
42.25
LogP / Solubility
WLOGP
4.63
MLOGP
4.09
XLogP3
4.5
Consensus LogP
4.41
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.75
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
