CAS RN: 21324-40-3

Lithium Hexafluorophosphate

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  • Product code: ICTL0146
  • Purity/Analytical Methods: >97.0%(T)
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21324-40-3 / lithium hexafluorophosphate

Standard CAS: 21324-40-3 Multi CAS: No

Basic Information

CAS
21324-40-3
Multi CAS
No
Molecular Formula
F6LiP
Molecular Weight
151.900000
Exact Mass
151.980184
SMILES
[Li+].F[P-](F)(F)(F)(F)F
InChI
InChI=1S/F6P.Li/c1-7(2,3,4,5)6;/q-1;+1
InChIKey
AXPLOJNSKRXQPA-UHFFFAOYSA-N

Physical Properties

Physical Description
Other Solid; Dry Powder; Pellets or Large Crystals White to almost white hygroscopic powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
H-bond acceptors
7
Molar refractivity
13.57
TPSA
0.0000

LogP / Solubility

WLOGP
0.39
MLOGP
0.33
XLogP3
0.39
Consensus LogP
0.37
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very 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)
-3.37

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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