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CAS 56354-75-7 Ethyl 3,3,3-trifluoro-2-Methylpropanoate molecular structure lightbox
CAS RN: 56354-75-7

Ethyl 3,3,3-trifluoro-2-Methylpropanoate

  • Product code: SSC-164324
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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: 1g
  • 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 56354-75-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

56354-75-7 / ethyl 3,3,3-trifluoro-2-methylpropanoate

Standard CAS: 56354-75-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56354-75-7
Multi CAS
No
Molecular Formula
C6F3H9O2
Molecular Weight
170.130000
Exact Mass
170.055464
InChI
InChI=1S/C6H9F3O2/c1-3-11-5(10)4(2)6(7,8)9/h4H,3H2,1-2H3
InChIKey
YEGQIYLYDBUDBB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
31.85
TPSA
26.3

LogP / Solubility

WLOGP
1.75
MLOGP
1.53
XLogP3
2.1
Consensus LogP
1.79
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.52

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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