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CAS 1443983-83-2 3-(fluoroMethyl)azetidine molecular structure lightbox
CAS RN: 1443983-83-2

3-(fluoroMethyl)azetidine

  • Product code: SSC-055627
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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 1443983-83-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1443983-83-2 / 3-(fluoromethyl)azetidine

Standard CAS: 1443983-83-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1443983-83-2
Multi CAS
No
Molecular Formula
C4H8FN
Molecular Weight
89.110000
Exact Mass
89.064077
SMILES
C1C(CN1)CF
InChI
InChI=1S/C4H8FN/c5-1-4-2-6-3-4/h4,6H,1-3H2
InChIKey
XHELGHANYVVRLW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
22.33
TPSA
12.03

LogP / Solubility

WLOGP
0.18
MLOGP
0.14
XLogP3
0.2
Consensus LogP
0.17
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.42
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
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)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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