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CAS 1281943-34-7 Sodium 2,2-difluoropropionate molecular structure lightbox
CAS RN: 1281943-34-7

Sodium 2,2-difluoropropionate

  • Product code: SSC-035513
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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: 5g
  • 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 1281943-34-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1281943-34-7 / sodium 2,2-difluoropropanoate

Standard CAS: 1281943-34-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1281943-34-7
Multi CAS
No
Molecular Formula
C3H3F2NaO2
Molecular Weight
132.040000
Exact Mass
131.999880
SMILES
CC(C(=O)[O-])(F)F.[Na+]
InChI
InChI=1S/C3H4F2O2.Na/c1-3(4,5)2(6)7;/h1H3,(H,6,7);/q;+1/p-1
InChIKey
LNVPDRWHNWKDOV-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
15.63
TPSA
40.13

LogP / Solubility

WLOGP
-3.6
MLOGP
-3.18
XLogP3
-3.6
Consensus LogP
-3.46
Log S (ESOL)
1.68
Class (ESOL)
Highly soluble
Log S (Ali)
1.96
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.35
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.08

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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