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CAS 886371-56-8 2,2,2-TRIFLUORO-1-(3-FLUORO-4-METHOXY-PHENYL)-ETHYLAMINE molecular structure lightbox
CAS RN: 886371-56-8

2,2,2-TRIFLUORO-1-(3-FLUORO-4-METHOXY-PHENYL)-ETHYLAMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250715 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS886371-56-8
  • Purity/Analytical Methods: >99.0%
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886371-56-8 / 2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine

Standard CAS: 886371-56-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886371-56-8
Multi CAS
No
Molecular Formula
C9F4H9NO
Molecular Weight
223.170000
Exact Mass
223.062027
InChI
InChI=1S/C9H9F4NO/c1-15-7-3-2-5(4-6(7)10)8(14)9(11,12)13/h2-4,8H,14H2,1H3
InChIKey
XXLGVMVNOAINFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.94
TPSA
35.25

LogP / Solubility

WLOGP
2.4
MLOGP
2.11
XLogP3
2
Consensus LogP
2.17
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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)
-2.38

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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