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CAS 195206-85-0 Phenol, 3,5-difluoro-4-(trifluoroMethoxy)- molecular structure lightbox
CAS RN: 195206-85-0

Phenol, 3,5-difluoro-4-(trifluoroMethoxy)-

  • Product code: SSC-092078
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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: 0.25g
  • 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 195206-85-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

195206-85-0 / 3,5-difluoro-4-(trifluoromethoxy)phenol

Standard CAS: 195206-85-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
195206-85-0
Multi CAS
No
Molecular Formula
C7H3F5O2
Molecular Weight
214.090000
Exact Mass
214.005320
SMILES
C1=C(C=C(C(=C1F)OC(F)(F)F)F)O
InChI
InChI=1S/C7H3F5O2/c8-4-1-3(13)2-5(9)6(4)14-7(10,11)12/h1-2,13H
InChIKey
AMZMLROLIVUFOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.71
TPSA
29.46

LogP / Solubility

WLOGP
2.57
MLOGP
2.26
XLogP3
2.9
Consensus LogP
2.58
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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)
-2.2

Drug-likeness / Medicinal Chemistry

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

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