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CAS 4459-18-1 PERFLUORO-TERT-BUTYL IODIDE molecular structure lightbox
CAS RN: 4459-18-1

PERFLUORO-TERT-BUTYL IODIDE

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250316 1g In stock Inquiry
Batchno.20250225 250mg In stock Inquiry
Batchno.20260515 5g Out of stock Inquiry
  • Product code: starshine_CAS4459-18-1
  • Purity/Analytical Methods: >99.0%
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4459-18-1 / 1,1,1,3,3,3-hexafluoro-2-iodo-2-(trifluoromethyl)propane

Standard CAS: 4459-18-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4459-18-1
Multi CAS
Yes
Molecular Formula
C4F9I
Molecular Weight
345.930000
Exact Mass
345.890100
InChI
InChI=1S/C4F9I/c5-2(6,7)1(14,3(8,9)10)4(11,12)13
InChIKey
WIKBZUXHNPONPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
H-bond acceptors
9
Molar refractivity
34.92
TPSA
0.0000

LogP / Solubility

WLOGP
3.85
MLOGP
3.4
XLogP3
4.4
Consensus LogP
3.88
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1

Drug-likeness / Medicinal Chemistry

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

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