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CAS 175543-23-4 Ethyl 2,2-Difluoro-2-(4-fluorophenyl)acetate molecular structure lightbox
CAS RN: 175543-23-4

Ethyl 2,2-Difluoro-2-(4-fluorophenyl)acetate

  • Product code: SSC-077018
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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, 5g, 10g, 0.1g, 0.25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 175543-23-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
25g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry
10g ≥95% 1 In Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

175543-23-4 / ethyl 2,2-difluoro-2-(4-fluorophenyl)acetate

Standard CAS: 175543-23-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
175543-23-4
Multi CAS
No
Molecular Formula
C10H9F3O2
Molecular Weight
218.170000
Exact Mass
218.055464
SMILES
CCOC(=O)C(C1=CC=C(C=C1)F)(F)F
InChI
InChI=1S/C10H9F3O2/c1-2-15-9(14)10(12,13)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3
InChIKey
QTJOXVLRFWKBMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
46.93
TPSA
26.3

LogP / Solubility

WLOGP
2.48
MLOGP
2.19
XLogP3
2.9
Consensus LogP
2.52
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.29

Drug-likeness / Medicinal Chemistry

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

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