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CAS 1187928-45-5 (R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanaMine molecular structure lightbox
CAS RN: 1187928-45-5

(R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanaMine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251117 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-018801
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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: 0.1g
  • 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 1187928-45-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1187928-45-5 / (1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine

2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHAN-1-AMINE | DTXSID60640789 | RefChem:242480

Standard CAS: 1187928-45-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1187928-45-5
Multi CAS
Yes
Molecular Formula
C8H7F4N
Molecular Weight
193.140000
Exact Mass
193.051462
SMILES
C1=CC(=CC=C1[C@H](C(F)(F)F)N)F
InChI
InChI=1S/C8H7F4N/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,7H,13H2/t7-/m1/s1
InChIKey
FRDAKAYQSQLWRW-SSDOTTSWSA-N
Synonyms
2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHAN-1-AMINE DTXSID60640789 RefChem:242480 DTXCID60591540 809-657-5

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.38
TPSA
26.02

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
2
Consensus LogP
2.16
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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