1041642-13-0 Potassium trifluoro(isopropyl)borate

Introduction

CAS No. :	1041642-13-0	MDL No. :	MFCD04112718
Formula :	C3H7BF3K	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	CATSGFLKVWWQST-UHFFFAOYSA-N
M.W :	149.99	Pubchem ID :	23697353
Synonyms :

Physicochemical Properties

Num. heavy atoms :	8
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 :	24.56
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
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) :	-5.01 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	3.11
Log Po/w (WLOGP) :	3.5
Log Po/w (MLOGP) :	2.03
Log Po/w (SILICOS-IT) :	0.37
Consensus Log Po/w :	1.8

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	3.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.66
Solubility :	0.326 mg/ml ; 0.00217 mol/l
Class :	Soluble
Log S (Ali) :	-2.78
Solubility :	0.25 mg/ml ; 0.00167 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.52
Solubility :	4.5 mg/ml ; 0.03 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.43

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H315-H319-H335	Packing Group:
GHS Pictogram:

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