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CAS 1185302-13-9 2,2,2-Trifluoro-1-(3-fluorophenyl)ethylaminehydrochloride molecular structure lightbox
CAS RN: 1185302-13-9

2,2,2-Trifluoro-1-(3-fluorophenyl)ethylaminehydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260425 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-018369
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1185302-13-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

1185302-13-9 / 2,2,2-trifluoro-1-(3-fluorophenyl)ethanamine;hydrochloride

2,2,2-TRIFLUORO-1-(3-FLUOROPHENYL)ETHYLAMINE HYDROCHLORIDE | 2,2,2-trifluoro-1-(3-fluorophenyl)ethanamine hydrochloride | MFCD10565658

Standard CAS: 1185302-13-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1185302-13-9
Multi CAS
No
Molecular Formula
C8H8ClF4N
Molecular Weight
229.600000
Exact Mass
229.028140
SMILES
C1=CC(=CC(=C1)F)C(C(F)(F)F)N.Cl
InChI
InChI=1S/C8H7F4N.ClH/c9-6-3-1-2-5(4-6)7(13)8(10,11)12;/h1-4,7H,13H2;1H
InChIKey
XNWPGRAQALZJNF-UHFFFAOYSA-N
Synonyms
2,2,2-TRIFLUORO-1-(3-FLUOROPHENYL)ETHYLAMINE HYDROCHLORIDE 2,2,2-trifluoro-1-(3-fluorophenyl)ethanamine hydrochloride MFCD10565658 2,2,2-Trifluoro-1-(3-fluorophenyl)ethylamineHydrochloride 2,2,2-trifluoro-1-(3-fluorophenyl)ethanamine;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.63
TPSA
26.02

LogP / Solubility

WLOGP
2.81
MLOGP
2.48
XLogP3
2.81
Consensus LogP
2.7
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-2.13

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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