CAS RN: 16083-14-0
nickel(2+) trifluoroacetate
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS16083-14-0
- Purity/Analytical Methods: >99.0%
16083-14-0 / nickel(2+);bis(2,2,2-trifluoroacetate)
Basic Information
CAS
16083-14-0
Multi CAS
No
Molecular Formula
C4F6NiO4
Molecular Weight
284.720000
Exact Mass
283.905419
SMILES
C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Ni+2]
InChI
InChI=1S/2C2HF3O2.Ni/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
InChIKey
VBLNFWKVZVKXPH-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.5
H-bond acceptors
4
Molar refractivity
22.12
TPSA
80.26
LogP / Solubility
WLOGP
-1.41
MLOGP
-1.23
XLogP3
-1.41
Consensus LogP
-1.35
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.34
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-5.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Health Hazard
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity]
H350i: May cause cancer by inhalation [Danger Carcinogenicity]
H360D ***: May damage the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P302+P352, P304+P340, P318, P319, P321, P333+P317, P342+P316, P362+P364, P391, P403, P405, and P501
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