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CAS 778-34-7 (TRICHLOROMETHYL)PENTAFLUOROBENZENE molecular structure lightbox
CAS RN: 778-34-7

(TRICHLOROMETHYL)PENTAFLUOROBENZENE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251001 25g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS778-34-7
  • Purity/Analytical Methods: >99.0%
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778-34-7 / 1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene

Standard CAS: 778-34-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
778-34-7
Multi CAS
No
Molecular Formula
C7CL3F5
Molecular Weight
285.400000
Exact Mass
283.898574
InChI
InChI=1S/C7Cl3F5/c8-7(9,10)1-2(11)4(13)6(15)5(14)3(1)12
InChIKey
VYXYRHITHKKNMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
5
Molar refractivity
45.47
TPSA
0.0000

LogP / Solubility

WLOGP
4.21
MLOGP
3.71
XLogP3
4
Consensus LogP
3.97
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.47

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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