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CAS 1354952-05-8 6,6-Difluoro-2-aza-spiro[3.3]heptane trifluoroacetate molecular structure lightbox
CAS RN: 1354952-05-8

6,6-Difluoro-2-aza-spiro[3.3]heptane trifluoroacetate

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250925 100mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250908 100mg In stock Shanghai Inquiry
Batchno.20260311 1g In stock Shanghai Inquiry
Batchno.20260127 250mg In stock Shanghai Inquiry
Batchno.20251203 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS1354952-05-8
  • Purity/Analytical Methods: >99.0%
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1354952-05-8 / 6,6-difluoro-2-azaspiro[3.3]heptane

Standard CAS: 1354952-05-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1354952-05-8
Multi CAS
No
Molecular Formula
C6H9F2N
Molecular Weight
133.140000
Exact Mass
133.070306
SMILES
C1C2(CC1(F)F)CNC2
InChI
InChI=1S/C6H9F2N/c7-6(8)1-5(2-6)3-9-4-5/h9H,1-4H2
InChIKey
HSTZDPVQCODIFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.48
TPSA
12.03

LogP / Solubility

WLOGP
1.01
MLOGP
0.88
XLogP3
0.8
Consensus LogP
0.9
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
Class (SILICOS-IT)
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)
-2.82

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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