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CAS 381-97-5 3,3,3-Trifluoro-2-Methylpropanoic acid molecular structure lightbox
CAS RN: 381-97-5

3,3,3-Trifluoro-2-Methylpropanoic acid

  • Product code: SSC-145608
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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: 0.25g, 1g, 0.1g, 5g, 10g, 25g
  • 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 381-97-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 3 In Stock Shanghai Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry
10g >95% 0 Out of Stock Shenzhen Inquiry
25g >95% 0 Out of Stock Beijing Inquiry

381-97-5 / 3,3,3-trifluoro-2-methylpropanoic acid

Standard CAS: 381-97-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
381-97-5
Multi CAS
No
Molecular Formula
C4F3H5O2
Molecular Weight
142.080000
Exact Mass
142.024164
InChI
InChI=1S/C4H5F3O2/c1-2(3(8)9)4(5,6)7/h2H,1H3,(H,8,9)
InChIKey
DQOGDQIDOONUSK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
22.85
TPSA
37.3

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
1.4
Consensus LogP
1.26
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-2.69

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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