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CAS 16486-98-9 1-CHLORO-8-IODOPERFLUOROOCTANE molecular structure lightbox
CAS RN: 16486-98-9

1-CHLORO-8-IODOPERFLUOROOCTANE

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Batchno.20260206 50g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS16486-98-9
  • Purity/Analytical Methods: >99.0%
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16486-98-9 / 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-iodooctane

Standard CAS: 16486-98-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16486-98-9
Multi CAS
No
Molecular Formula
C8ClF16I
Molecular Weight
562.420000
Exact Mass
561.847780
SMILES
C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F
InChI
InChI=1S/C8ClF16I/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26
InChIKey
UUDAHXKFALCGJQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
16
Molar refractivity
59.45
TPSA
0.0000

LogP / Solubility

WLOGP
6.66
MLOGP
5.9
XLogP3
7
Consensus LogP
6.52
Log S (ESOL)
-7.06
Class (ESOL)
Insoluble
Log S (Ali)
-8.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.68
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.42

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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