![CAS 1631027-12-7 1,1-DIFLUORO-5-AZASPIRO[2.3]HEXANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1631027-12-7.gif)
CAS RN: 1631027-12-7
1,1-DIFLUORO-5-AZASPIRO[2.3]HEXANE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250131 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS1631027-12-7
- Purity/Analytical Methods: >99.0%
1631027-12-7 / 2,2-difluoro-5-azaspiro[2.3]hexane
Basic Information
CAS
1631027-12-7
Multi CAS
No
Molecular Formula
C5H7F2N
Molecular Weight
119.110000
Exact Mass
119.054656
SMILES
C1C2(C1(F)F)CNC2
InChI
InChI=1S/C5H7F2N/c6-5(7)1-4(5)2-8-3-4/h8H,1-3H2
InChIKey
GOZDGVBSWAOCMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
24.87
TPSA
12.03
LogP / Solubility
WLOGP
0.61
MLOGP
0.53
XLogP3
0.5
Consensus LogP
0.55
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.94
Class (SILICOS-IT)
Very 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)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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