CAS RN: 422-59-3
PENTAFLUOROPROPIONYL CHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250529 | 25g | Out of stock | Inquiry |
- Product code: starshine_CAS422-59-3
- Purity/Analytical Methods: >99.0%
422-59-3 / 2,2,3,3,3-pentafluoropropanoyl chloride
Basic Information
CAS
422-59-3
Multi CAS
Yes
Molecular Formula
C3CLF5O
Molecular Weight
182.470000
Exact Mass
181.955783
InChI
InChI=1S/C3ClF5O/c4-1(10)2(5,6)3(7,8)9
InChIKey
SHMNLEQWIMKCQA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
21.86
TPSA
17.07
LogP / Solubility
WLOGP
1.95
MLOGP
1.71
XLogP3
2.6
Consensus LogP
2.09
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately 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)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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