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CAS 1393541-22-4 2-(difluoromethyl)pyrrolidine hydrochloride molecular structure lightbox
CAS RN: 1393541-22-4

2-(difluoromethyl)pyrrolidine hydrochloride

  • Product code: SSC-049833
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1393541-22-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 1 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1393541-22-4 / 2-(difluoromethyl)pyrrolidine

Standard CAS: 1393541-22-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1393541-22-4
Multi CAS
No
Molecular Formula
C5H9F2N
Molecular Weight
121.130000
Exact Mass
121.070306
SMILES
C1CC(NC1)C(F)F
InChI
InChI=1S/C5H9F2N.ClH/c6-5(7)4-2-1-3-8-4;/h4-5,8H,1-3H2;1H
InChIKey
RDIHQUJWAQSJNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.03
TPSA
12.03

LogP / Solubility

WLOGP
1
MLOGP
0.87
XLogP3
1.2
Consensus LogP
1.02
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-2.75

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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