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CAS 1956-85-0 N1-[3-(Trifluoromethoxy)phenyl]acetamide molecular structure lightbox
CAS RN: 1956-85-0

N1-[3-(Trifluoromethoxy)phenyl]acetamide

  • Product code: SSC-092342
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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: 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 1956-85-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1956-85-0 / N-[3-(trifluoromethoxy)phenyl]acetamide

Standard CAS: 1956-85-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1956-85-0
Multi CAS
No
Molecular Formula
C9H8F3NO2
Molecular Weight
219.160000
Exact Mass
219.050713
SMILES
CC(=O)NC1=CC(=CC=C1)OC(F)(F)F
InChI
InChI=1S/C9H8F3NO2/c1-6(14)13-7-3-2-4-8(5-7)15-9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKey
BBLYNDRZXOWCNV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.43
TPSA
38.33

LogP / Solubility

WLOGP
2.54
MLOGP
2.24
XLogP3
2.5
Consensus LogP
2.43
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-2.25

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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