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CAS 212563-43-4 1H,1H-Tridecafluoroheptyl Iodide molecular structure lightbox
CAS RN: 212563-43-4

1H,1H-Tridecafluoroheptyl Iodide

  • Product code: SSC-101504
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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: 1g
  • 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 212563-43-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

212563-43-4 / 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-iodoheptane

Standard CAS: 212563-43-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
212563-43-4
Multi CAS
No
Molecular Formula
C7H2F13I
Molecular Weight
459.970000
Exact Mass
459.899360
SMILES
C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C7H2F13I/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h1H2
InChIKey
GBDROMNKGSCMDH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
13
Molar refractivity
49.68
TPSA
0.0000

LogP / Solubility

WLOGP
5.16
MLOGP
4.57
XLogP3
5.8
Consensus LogP
5.18
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.53
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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