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CAS 1240257-18-4 2-Fluoro-4-(trifluoroMethoxy)benzaMide molecular structure lightbox
CAS RN: 1240257-18-4

2-Fluoro-4-(trifluoroMethoxy)benzaMide

  • Product code: SSC-027707
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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 1240257-18-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1240257-18-4 / 2-fluoro-4-(trifluoromethoxy)benzamide

Standard CAS: 1240257-18-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1240257-18-4
Multi CAS
No
Molecular Formula
C8H5F4NO2
Molecular Weight
223.120000
Exact Mass
223.025641
SMILES
C1=CC(=C(C=C1OC(F)(F)F)F)C(=O)N
InChI
InChI=1S/C8H5F4NO2/c9-6-3-4(15-8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H2,13,14)
InChIKey
XIMSWKYWHVBWDF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.6
TPSA
52.32

LogP / Solubility

WLOGP
1.82
MLOGP
1.61
XLogP3
2.1
Consensus LogP
1.84
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.79

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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