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CAS 889940-13-0 3,3,3-Trifluoro-2,2-dimethylpropionic Acid molecular structure lightbox
CAS RN: 889940-13-0

3,3,3-Trifluoro-2,2-dimethylpropionic Acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260416 1g / 5g / 10g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-200739
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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, 10g, 5g, 25g, 0.25g, 100g, 500g
  • Available purity: ≥97%
  • Inventory rows with stock: 6
  • 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 889940-13-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Hong Kong Inquiry
10g ≥97% 5 In Stock Shanghai Inquiry
5g ≥97% 4 In Stock Shenzhen Inquiry
25g ≥97% 2 In Stock Shanghai Inquiry
0.25g ≥97% 1 In Stock Shenzhen Inquiry
100g ≥97% 1 In Stock Hong Kong Inquiry
500g ≥97% 0 Out of Stock Beijing Inquiry

889940-13-0 / 3,3,3-trifluoro-2,2-dimethylpropanoic acid

Standard CAS: 889940-13-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
889940-13-0
Multi CAS
Yes
Molecular Formula
C5F3H7O2
Molecular Weight
156.100000
Exact Mass
156.039814
InChI
InChI=1S/C5H7F3O2/c1-4(2,3(9)10)5(6,7)8/h1-2H3,(H,9,10)
InChIKey
VMFSJVUPIXOCFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.47
TPSA
37.3

LogP / Solubility

WLOGP
1.66
MLOGP
1.46
XLogP3
1.8
Consensus LogP
1.64
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-2.49

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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