CAS RN: 1133115-99-7
8-Fluoro-5-(trifluoromethyl)quinoline
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260227 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1133115-99-7
- Purity/Analytical Methods: >99.0%
1133115-99-7 / 8-fluoro-5-(trifluoromethyl)quinoline
8-FLUORO-5-(TRIFLUOROMETHYL)QUINOLINE | MFCD11855926 | DTXSID50674957
Basic Information
CAS
1133115-99-7
Multi CAS
No
Molecular Formula
C10H5F4N
Molecular Weight
215.150000
Exact Mass
215.035812
SMILES
C1=CC2=C(C=CC(=C2N=C1)F)C(F)(F)F
InChI
InChI=1S/C10H5F4N/c11-8-4-3-7(10(12,13)14)6-2-1-5-15-9(6)8/h1-5H
InChIKey
ONWZHYLCPBGCAY-UHFFFAOYSA-N
Synonyms
8-FLUORO-5-(TRIFLUOROMETHYL)QUINOLINE
MFCD11855926
DTXSID50674957
ONWZHYLCPBGCAY-UHFFFAOYSA-N
AKOS015853306
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
46.7
TPSA
12.89
LogP / Solubility
WLOGP
3.39
MLOGP
2.99
XLogP3
3.3
Consensus LogP
3.23
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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