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CAS 434-64-0 Octafluorotoluene molecular structure lightbox
CAS RN: 434-64-0

Octafluorotoluene

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260410 100g In stock Shanghai, Hebei Inquiry
Batchno.20250705 1g In stock Shanghai Inquiry
Batchno.20251207 25g In stock Shanghai, Guangdong Inquiry
Batchno.20250512 5g In stock Shanghai, Shandong Inquiry
  • Product code: ICTP0856
  • Purity/Analytical Methods: >98.0%(GC)
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434-64-0 / 1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene

Standard CAS: 434-64-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
434-64-0
Multi CAS
Yes
Molecular Formula
C7F8
Molecular Weight
236.060000
Exact Mass
235.987225
InChI
InChI=1S/C7F8/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10
InChIKey
USPWUOFNOTUBAD-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
8
Molar refractivity
31.23
TPSA
0.0000

LogP / Solubility

WLOGP
3.4
MLOGP
3
XLogP3
3.3
Consensus LogP
3.23
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
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)
-1.75

Drug-likeness / Medicinal Chemistry

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

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