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CAS 2711-56-0 2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine hydrochloride molecular structure lightbox
CAS RN: 2711-56-0

2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine hydrochloride

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3 package records0 with current stock1 grade group
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Batchno.20250925 100mg Out of stock Inquiry
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  • Product code: starshine_CAS2711-56-0
  • Purity/Analytical Methods: >99.0%
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2711-56-0 / 2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride

Standard CAS: 2711-56-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2711-56-0
Multi CAS
No
Molecular Formula
C10H11ClF3N
Molecular Weight
237.650000
Exact Mass
237.053212
InChI
InChI=1S/C10H10F3N.ClH/c11-10(12,13)7-3-1-2-6(4-7)8-5-9(8)14;/h1-4,8-9H,5,14H2;1H
InChIKey
UEBVQWSVKIOFQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.03
TPSA
26.02

LogP / Solubility

WLOGP
2.94
MLOGP
2.59
XLogP3
2.94
Consensus LogP
2.82
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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