CAS RN: 1263679-68-0
(Z)-1-Chloro-2,3,3-trifluoroprop-1-ene (contains ca. 10% (E)- isomer)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251104 | 100g | In stock | Shanghai | Inquiry |
- Product code: ICTC3724
- Purity/Analytical Methods: >89.0%(GC)
1263679-68-0 / (Z)-1-chloro-2,3,3-trifluoroprop-1-ene
Basic Information
CAS
1263679-68-0
Multi CAS
No
Molecular Formula
C3H2ClF3
Molecular Weight
130.490000
Exact Mass
129.979712
SMILES
C(=C(/C(F)F)\F)\Cl
InChI
InChI=1S/C3H2ClF3/c4-1-2(5)3(6)7/h1,3H/b2-1-
InChIKey
USCSECLOSDIOTA-UPHRSURJSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
21.05
TPSA
0.0000
LogP / Solubility
WLOGP
2.3
MLOGP
2.02
XLogP3
1.9
Consensus LogP
2.07
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-1.88
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
H336 (100%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P271, P273, P304+P340, P319, P403+P233, P405, and P501
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