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CAS 598-39-0 2-IODO-1,1-DIFLUOROETHANE molecular structure lightbox
CAS RN: 598-39-0

2-IODO-1,1-DIFLUOROETHANE

  • Product code: SSC-168354
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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: 1g, 5g, 10g, 25g, 100g, 1000g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 7
  • 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 598-39-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
10g >97% 5 In Stock Beijing Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
100g >97% 5 In Stock Beijing Inquiry
1000g >97% 5 In Stock Beijing Inquiry
500g >97% 2 In Stock Shanghai Inquiry

598-39-0 / 1,1-difluoro-1-iodoethane

Standard CAS: 598-39-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
598-39-0
Multi CAS
Yes
Molecular Formula
C2F2H3I
Molecular Weight
191.950000
Exact Mass
191.924750
InChI
InChI=1S/C2H3F2I/c1-2(3,4)5/h1H3
InChIKey
LBRHUMBEGYYRBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
24.64
TPSA
0.0000

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
2
Consensus LogP
1.94
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately 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)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1

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