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CAS 67680-56-2 N-(2-IODOETHYL)TRIFLUORO-ACETAMIDE molecular structure lightbox
CAS RN: 67680-56-2

N-(2-IODOETHYL)TRIFLUORO-ACETAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250613 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS67680-56-2
  • Purity/Analytical Methods: >99.0%
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67680-56-2 / 2,2,2-trifluoro-N-(2-iodoethyl)acetamide

Standard CAS: 67680-56-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67680-56-2
Multi CAS
No
Molecular Formula
C4F3H5InO
Molecular Weight
266.990000
Exact Mass
266.936800
InChI
InChI=1S/C4H5F3INO/c5-4(6,7)3(10)9-2-1-8/h1-2H2,(H,9,10)
InChIKey
QFRHEHPVTSCSIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
37.95
TPSA
29.1

LogP / Solubility

WLOGP
1.1
MLOGP
0.98
XLogP3
1.8
Consensus LogP
1.29
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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