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CAS 25666-51-7 2-TRIFLUOROACETYLPHENOL molecular structure lightbox
CAS RN: 25666-51-7

2-TRIFLUOROACETYLPHENOL

  • Product code: SSC-121981
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 25666-51-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

25666-51-7 / 2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone

Standard CAS: 25666-51-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25666-51-7
Multi CAS
No
Molecular Formula
C8H5F3O2
Molecular Weight
190.120000
Exact Mass
190.024164
SMILES
C1=CC=C(C(=C1)C(=O)C(F)(F)F)O
InChI
InChI=1S/C8H5F3O2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h1-4,12H
InChIKey
HZRXGWSUNPYCQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.49
TPSA
37.3

LogP / Solubility

WLOGP
2.14
MLOGP
1.88
XLogP3
3
Consensus LogP
2.34
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately 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)
-2.36

Drug-likeness / Medicinal Chemistry

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

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