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CAS 2098002-16-3 1,1-difluoro-6-azaspiro[2.6]nonane hydrochloride molecular structure lightbox
CAS RN: 2098002-16-3

1,1-difluoro-6-azaspiro[2.6]nonane hydrochloride

  • Product code: SSC-099646
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2098002-16-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2098002-16-3 / 2,2-difluoro-7-azaspiro[2.6]nonane;hydrochloride

Standard CAS: 2098002-16-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2098002-16-3
Multi CAS
No
Molecular Formula
C8H14ClF2N
Molecular Weight
197.650000
Exact Mass
197.078284
SMILES
C1CC2(CCNC1)CC2(F)F.Cl
InChI
InChI=1S/C8H13F2N.ClH/c9-8(10)6-7(8)2-1-4-11-5-3-7;/h11H,1-6H2;1H
InChIKey
DGBQDDXYQRDRHD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.97
TPSA
12.03

LogP / Solubility

WLOGP
2.21
MLOGP
1.94
XLogP3
2.21
Consensus LogP
2.12
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately 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)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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