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CAS 354-37-0 Trifluoroacetamidine molecular structure lightbox
CAS RN: 354-37-0

Trifluoroacetamidine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250112 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing Inquiry
  • Product code: starshine_CAS354-37-0
  • Purity/Analytical Methods: >99.0%
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354-37-0 / 2,2,2-trifluoroethanimidamide

Standard CAS: 354-37-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
354-37-0
Multi CAS
Yes
Molecular Formula
C2F3H3N2
Molecular Weight
112.050000
Exact Mass
112.024833
InChI
InChI=1S/C2H3F3N2/c3-2(4,5)1(6)7/h(H3,6,7)
InChIKey
NITMACBPVVUGOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.5
H-bond acceptors
1
H-bond donors
2
Molar refractivity
17.97
TPSA
49.87

LogP / Solubility

WLOGP
0.48
MLOGP
0.42
XLogP3
0.3
Consensus LogP
0.4
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
Class (SILICOS-IT)
Very 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)
-3.06

Drug-likeness / Medicinal Chemistry

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

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