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CAS 1567070-60-3 3-fluoro-3-(methoxymethyl)pyrrolidine molecular structure lightbox
CAS RN: 1567070-60-3

3-fluoro-3-(methoxymethyl)pyrrolidine

  • Product code: SSC-065845
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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 1567070-60-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1567070-60-3 / 3-fluoro-3-(methoxymethyl)pyrrolidine

Standard CAS: 1567070-60-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1567070-60-3
Multi CAS
No
Molecular Formula
C6H12FNO
Molecular Weight
133.160000
Exact Mass
133.090292
SMILES
COCC1(CCNC1)F
InChI
InChI=1S/C6H12FNO/c1-9-5-6(7)2-3-8-4-6/h8H,2-5H2,1H3
InChIKey
BWWAJKNTOFNEJZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.2
TPSA
21.26

LogP / Solubility

WLOGP
0.33
MLOGP
0.29
Consensus LogP
0.21
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.04
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)
-3.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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