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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
2386-82-5 / 2-(4-ethenylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Basic Information
CAS
2386-82-5
Multi CAS
No
Molecular Formula
C11H8F6O
Molecular Weight
270.170000
Exact Mass
270.047934
SMILES
C=CC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C11H8F6O/c1-2-7-3-5-8(6-4-7)9(18,10(12,13)14)11(15,16)17/h2-6,18H,1H2
InChIKey
RHDPTOIUYREFCO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.54
TPSA
20.23
LogP / Solubility
WLOGP
3.64
MLOGP
3.21
XLogP3
4.2
Consensus LogP
3.68
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly 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)
-1.78
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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