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CAS 2713-62-4 2-(HEXAFLUORO-2-HYDROXYISOPROPYL)ANILINE molecular structure lightbox
CAS RN: 2713-62-4

2-(HEXAFLUORO-2-HYDROXYISOPROPYL)ANILINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260511 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-125939
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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, 1g, 5g, 10g, 0.1g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 2713-62-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
1g >97% 4 In Stock Hong Kong Inquiry
5g >97% 3 In Stock Beijing Inquiry
10g >97% 3 In Stock Shanghai Inquiry
0.1g >97% 2 In Stock Shanghai Inquiry
25g >97% 2 In Stock Hong Kong Inquiry

2713-62-4 / 2-(2-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

Standard CAS: 2713-62-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2713-62-4
Multi CAS
No
Molecular Formula
C9H7F6NO
Molecular Weight
259.150000
Exact Mass
259.043183
SMILES
C1=CC=C(C(=C1)C(C(F)(F)F)(C(F)(F)F)O)N
InChI
InChI=1S/C9H7F6NO/c10-8(11,12)7(17,9(13,14)15)5-3-1-2-4-6(5)16/h1-4,17H,16H2
InChIKey
HSCFLKMJUGBEEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.86
TPSA
46.25

LogP / Solubility

WLOGP
2.58
MLOGP
2.28
XLogP3
3.3
Consensus LogP
2.72
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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