CAS RN: 166878-51-9
Benzene, 1-(1-cyclopenten-1-yl)-2-fluoro- (9CI)
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.20250826 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS166878-51-9
- Purity/Analytical Methods: >99.0%
166878-51-9 / 1-(cyclopenten-1-yl)-2-fluorobenzene
Basic Information
CAS
166878-51-9
Multi CAS
No
Molecular Formula
C11H11F
Molecular Weight
162.200000
Exact Mass
162.084479
SMILES
C1CC=C(C1)C2=CC=CC=C2F
InChI
InChI=1S/C11H11F/c12-11-8-4-3-7-10(11)9-5-1-2-6-9/h3-5,7-8H,1-2,6H2
InChIKey
VMFNJIUCHBXFAT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
48.23
TPSA
0.0000
LogP / Solubility
WLOGP
3.39
MLOGP
2.98
XLogP3
3.2
Consensus LogP
3.19
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly 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)
-1.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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