Fluorotriphenylsilane

Introduction

CAS No. :	379-50-0	MDL No. :	MFCD00017899
Formula :	C18H15FSi	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	UBGXLEFOIVWVRP-UHFFFAOYSA-N
M.W :	278.40	Pubchem ID :	67837
Synonyms :

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	85.09
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.82 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.09
Log Po/w (XLOGP3) :	5.88
Log Po/w (WLOGP) :	3.04
Log Po/w (MLOGP) :	5.28
Log Po/w (SILICOS-IT) :	3.78
Consensus Log Po/w :	4.21

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-5.74
Solubility :	0.000508 mg/ml ; 0.00000183 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.65
Solubility :	0.000619 mg/ml ; 0.00000222 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-7.81
Solubility :	0.00000429 mg/ml ; 0.0000000154 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.21

Signal Word:	Danger	Class:	8
Precautionary Statements:	P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501	UN#:	3261
Hazard Statements:	H290-H314	Packing Group:	Ⅱ
GHS Pictogram:

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