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CAS 202664-53-7 2′-FLUORO-5′-(TRIFLUOROMETHYL)ACETOPHENONE molecular structure lightbox
CAS RN: 202664-53-7

2′-FLUORO-5′-(TRIFLUOROMETHYL)ACETOPHENONE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260106 1g In stock Inquiry
Batchno.20250122 25g In stock Inquiry
Batchno.20260516 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260531 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-095428
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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, 25g, 10g, 0.25g, 100g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 202664-53-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
25g >97% 4 In Stock Shanghai Inquiry
10g >97% 3 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
100g >97% 1 In Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

202664-53-7 / 1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanone

Standard CAS: 202664-53-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
202664-53-7
Multi CAS
No
Molecular Formula
C9H6F4O
Molecular Weight
206.140000
Exact Mass
206.035477
SMILES
CC(=O)C1=C(C=CC(=C1)C(F)(F)F)F
InChI
InChI=1S/C9H6F4O/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-4H,1H3
InChIKey
PYEGOARCMCIYCW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
41.41
TPSA
17.07

LogP / Solubility

WLOGP
3.05
MLOGP
2.68
XLogP3
2.6
Consensus LogP
2.78
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly 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)
-1.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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