CAS 1554367-11-1 3-(1,2,2,2-Tetrafluoroethyl)aniline molecular structure

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CAS RN: 1554367-11-1

3-(1,2,2,2-Tetrafluoroethyl)aniline

Product code: SSC-064714

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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: 0.1g, 5g, 0.25g, 1g
Available purity: ≥95%
Inventory rows with stock: 4
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 1554367-11-1
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	≥95%	5 In Stock	Beijing	Inquiry
5g	≥95%	5 In Stock	Hong Kong	Inquiry
0.25g	≥95%	2 In Stock	Beijing	Inquiry
1g	≥95%	1 In Stock	Shenzhen	Inquiry

1554367-11-1 / 3-(1,2,2,2-tetrafluoroethyl)aniline

Standard CAS: 1554367-11-1 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1554367-11-1

Multi CAS

Molecular Formula

C8H7F4N

Molecular Weight

193.140000

Exact Mass

193.051462

SMILES

C1=CC(=CC(=C1)N)C(C(F)(F)F)F

InChI

InChI=1S/C8H7F4N/c9-7(8(10,11)12)5-2-1-3-6(13)4-5/h1-4,7H,13H2

InChIKey

IXBYFFSOEJUOIK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.25

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

40.76

TPSA

26.02

LogP / Solubility

WLOGP

2.84

MLOGP

2.5

XLogP3

2.5

Consensus LogP

2.61

Log S (ESOL)

-3.1

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.2

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-3.39

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-1.88

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

Applications of CAS 1554367-11-1

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1554367-11-1 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.