164298-27-5 2-Fluoro-1,3-dimethylimidazolinium Hexafluorophosphate

Introduction

CAS No. :	164298-27-5	MDL No. :	MFCD01863767
Formula :	C5H10F7N2P	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	HZQRHQLFHYEODY-UHFFFAOYSA-N
M.W :	262.11	Pubchem ID :	10945225
Synonyms :

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.8
Num. rotatable bonds :	0
Num. H-bond acceptors :	7.0
Num. H-bond donors :	0.0
Molar Refractivity :	52.53
TPSA :	19.84 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.72 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	3.07
Log Po/w (WLOGP) :	5.46
Log Po/w (MLOGP) :	1.73
Log Po/w (SILICOS-IT) :	0.06
Consensus Log Po/w :	2.06

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.4
Solubility :	0.105 mg/ml ; 0.000399 mol/l
Class :	Soluble
Log S (Ali) :	-3.15
Solubility :	0.184 mg/ml ; 0.000702 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.08
Solubility :	21.6 mg/ml ; 0.0824 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	3.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	3.37

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

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