CAS RN: 1150655-12-1
Potassium 2-fluoro-4-(trifluoromethyl)phenyltrifluoroborate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260222 | 250mg / 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1150655-12-1
- Purity/Analytical Methods: >99.0%
1150655-12-1 / potassium trifluoro-[2-fluoro-4-(trifluoromethyl)phenyl]boranuide
POTASSIUM 2-FLUORO-4-(TRIFLUOROMETHYL)PHENYLTRIFLUOROBORATE | MFCD07781236 | potassium;trifluoro-[2-fluoro-4-(trifluoromethyl)phenyl]boranuide
Basic Information
CAS
1150655-12-1
Multi CAS
Yes
Molecular Formula
C7H3BF7K
Molecular Weight
270.000000
Exact Mass
269.985309
SMILES
[B-](C1=C(C=C(C=C1)C(F)(F)F)F)(F)(F)F.[K+]
InChI
InChI=1S/C7H3BF7.K/c9-6-3-4(7(10,11)12)1-2-5(6)8(13,14)15;/h1-3H;/q-1;+1
InChIKey
NKFIFIUHQRJHJP-UHFFFAOYSA-N
Synonyms
POTASSIUM 2-FLUORO-4-(TRIFLUOROMETHYL)PHENYLTRIFLUOROBORATE
MFCD07781236
potassium;trifluoro-[2-fluoro-4-(trifluoromethyl)phenyl]boranuide
POTASSIUM TRIFLUORO(2-FLUORO-4-(TRIFLUOROMETHYL)PHENYL)BORATE
POTASSIUM TRIFLUORO[2-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]BORANUIDE
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
8
Molar refractivity
40.11
TPSA
0.0000
LogP / Solubility
WLOGP
-0.1
MLOGP
-0.08
XLogP3
-0.1
Consensus LogP
-0.09
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
Class (SILICOS-IT)
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)
-4.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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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