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CAS 431-37-8 1-CHLORO-3,3,3-TRIFLUOROACETONE molecular structure lightbox
CAS RN: 431-37-8

1-CHLORO-3,3,3-TRIFLUOROACETONE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251211 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-151388
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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: 0.1g, 0.25g, 1g, 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 431-37-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

431-37-8 / 3-chloro-1,1,1-trifluoropropan-2-one

Standard CAS: 431-37-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
431-37-8
Multi CAS
No
Molecular Formula
C3H2CLF3O
Molecular Weight
146.490000
Exact Mass
145.974627
InChI
InChI=1S/C3H2ClF3O/c4-1-2(8)3(5,6)7/h1H2
InChIKey
OONJVQFMOZAXOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
21.78
TPSA
17.07

LogP / Solubility

WLOGP
1.36
MLOGP
1.19
XLogP3
1.7
Consensus LogP
1.42
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-2.65

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
1.5

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