446065-11-8 Potassium cyclohexyltrifluoroborate

Introduction

CAS No. :	446065-11-8	MDL No. :	MFCD09992929
Formula :	C6H11BF3K	Boiling Point :	-
Linear Structure Formula :	CH2CH(C4H8)BF3K	InChI Key :	WWDXLJUMJZXRLX-UHFFFAOYSA-N
M.W :	190.06	Pubchem ID :	23670565
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	36.86
TPSA :	0.0 Ų

Pharmacokinetics

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) :	-4.51 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	4.15
Log Po/w (WLOGP) :	4.43
Log Po/w (MLOGP) :	2.73
Log Po/w (SILICOS-IT) :	1.39
Consensus Log Po/w :	2.54

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.57
Solubility :	0.0515 mg/ml ; 0.000271 mol/l
Class :	Soluble
Log S (Ali) :	-3.86
Solubility :	0.0264 mg/ml ; 0.000139 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.18
Solubility :	1.26 mg/ml ; 0.00661 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.39

Signal Word:	Danger	Class:	8
Precautionary Statements:	P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501	UN#:	1759
Hazard Statements:	H314	Packing Group:	Ⅲ
GHS Pictogram:

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