CAS RN: 2060062-92-0
2-(2,4-Difluorophenyl)-2,2-difluoroethan-1-amine Hydrochloride
- Product code: SSC-097127
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2060062-92-0 / 2-(2,4-difluorophenyl)-2,2-difluoroethanamine;hydrochloride
Basic Information
CAS
2060062-92-0
Multi CAS
No
Molecular Formula
C8H8ClF4N
Molecular Weight
229.600000
Exact Mass
229.028140
SMILES
C1=CC(=C(C=C1F)F)C(CN)(F)F.Cl
InChI
InChI=1S/C8H7F4N.ClH/c9-5-1-2-6(7(10)3-5)8(11,12)4-13;/h1-3H,4,13H2;1H
InChIKey
YTCHRHAJVBEPHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.55
TPSA
26.02
LogP / Solubility
WLOGP
2.44
MLOGP
2.15
XLogP3
2.44
Consensus LogP
2.34
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-2.39
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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