84350-73-2 Tris(2-fluorophenyl)phosphine

Introduction

CAS No. :	84350-73-2	MDL No. :	MFCD00015721
Formula :	C18H12F3P	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	LZTKJXHKOLJIHI-UHFFFAOYSA-N
M.W :	316.26	Pubchem ID :	13005283
Synonyms :

Physicochemical Properties

Num. heavy atoms :	22
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	85.02
TPSA :	13.59 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.74 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.41
Log Po/w (XLOGP3) :	4.91
Log Po/w (WLOGP) :	5.12
Log Po/w (MLOGP) :	6.32
Log Po/w (SILICOS-IT) :	6.68
Consensus Log Po/w :	5.29

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.3
Solubility :	0.00158 mg/ml ; 0.00000499 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.93
Solubility :	0.0037 mg/ml ; 0.0000117 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-8.36
Solubility :	0.00000138 mg/ml ; 0.0000000044 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.66

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

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