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CAS 1554367-11-1 3-(1,2,2,2-Tetrafluoroethyl)aniline molecular structure lightbox
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
No
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
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
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
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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