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CAS 13349-90-1 1-(2,2,2-TRIFLUOROETHYL)PIPERAZINE molecular structure lightbox
CAS RN: 13349-90-1

1-(2,2,2-TRIFLUOROETHYL)PIPERAZINE

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250924 1g In stock Inquiry
Batchno.20250329 250mg In stock Inquiry
Batchno.20250307 5g Out of stock Inquiry
  • Product code: SSC-040292
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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: 0.25g, 0.1g, 1g, 5g, 10g, 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • 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 13349-90-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 3 In Stock Shanghai Inquiry
0.1g ≥98% 1 In Stock Beijing Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

13349-90-1 / 1-(2,2,2-trifluoroethyl)piperazine

Standard CAS: 13349-90-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13349-90-1
Multi CAS
No
Molecular Formula
C6H11F3N2
Molecular Weight
168.160000
Exact Mass
168.087433
SMILES
C1CN(CCN1)CC(F)(F)F
InChI
InChI=1S/C6H11F3N2/c7-6(8,9)5-11-3-1-10-2-4-11/h10H,1-5H2
InChIKey
GFPOCAYEKCWFPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.36
TPSA
15.27

LogP / Solubility

WLOGP
0.45
MLOGP
0.4
XLogP3
0.7
Consensus LogP
0.52
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
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)
-3.42

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids] H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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