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CAS 312-95-8 alpha,alpha,alpha,alpha’,alpha’-pentafluoro-o-xylene molecular structure lightbox
CAS RN: 312-95-8

alpha,alpha,alpha,alpha’,alpha’-pentafluoro-o-xylene

  • Product code: SSC-136473
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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: 5g
  • 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 312-95-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

312-95-8 / 1-(difluoromethyl)-2-(trifluoromethyl)benzene

Standard CAS: 312-95-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
312-95-8
Multi CAS
Yes
Molecular Formula
C8F5H5
Molecular Weight
196.120000
Exact Mass
196.031141
InChI
InChI=1S/C8H5F5/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4,7H
InChIKey
LYADDKODNUCIMF-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
5
Molar refractivity
36.4
TPSA
0.0000

LogP / Solubility

WLOGP
3.64
MLOGP
3.21
XLogP3
3.4
Consensus LogP
3.42
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly 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)
-1.33

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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