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CAS 407-01-2 BIS(2,2,2-TRIFLUOROETHYL)AMINE molecular structure lightbox
CAS RN: 407-01-2

BIS(2,2,2-TRIFLUOROETHYL)AMINE

  • Product code: SSC-149028
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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: 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 407-01-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

407-01-2 / 2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)ethanamine

Standard CAS: 407-01-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
407-01-2
Multi CAS
No
Molecular Formula
C4F6H5N
Molecular Weight
181.080000
Exact Mass
181.032618
InChI
InChI=1S/C4H5F6N/c5-3(6,7)1-11-2-4(8,9)10/h11H,1-2H2
InChIKey
GTJGHXLFPMOKCE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
24.98
TPSA
12.03

LogP / Solubility

WLOGP
1.7
MLOGP
1.49
XLogP3
2
Consensus LogP
1.73
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.62

Drug-likeness / Medicinal Chemistry

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

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