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CAS 886368-66-7 1-(3-chlorophenyl)-2,2,2-trifluoroethanamine molecular structure lightbox
CAS RN: 886368-66-7

1-(3-chlorophenyl)-2,2,2-trifluoroethanamine

  • Product code: SSC-199913
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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: 0.25g
  • 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 886368-66-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

886368-66-7 / 1-(3-chlorophenyl)-2,2,2-trifluoroethanamine

Standard CAS: 886368-66-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886368-66-7
Multi CAS
No
Molecular Formula
C8H7CLF3N
Molecular Weight
209.590000
Exact Mass
209.021911
InChI
InChI=1S/C8H7ClF3N/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4,7H,13H2
InChIKey
VWKRJAXYSCHDKI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.44
TPSA
26.02

LogP / Solubility

WLOGP
2.9
MLOGP
2.55
XLogP3
2.6
Consensus LogP
2.68
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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