Parylene F Dimer

Introduction

CAS No. :	1785-64-4	MDL No. :	MFCD13195584
Formula :	C16H8F8	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	GUHKMHMGKKRFDT-UHFFFAOYSA-N
M.W :	352.22	Pubchem ID :	11739627
Synonyms :

Physicochemical Properties

Num. heavy atoms :	24
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.25
Num. rotatable bonds :	0
Num. H-bond acceptors :	8.0
Num. H-bond donors :	0.0
Molar Refractivity :	68.18
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.73 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.73
Log Po/w (XLOGP3) :	5.24
Log Po/w (WLOGP) :	8.04
Log Po/w (MLOGP) :	7.61
Log Po/w (SILICOS-IT) :	7.94
Consensus Log Po/w :	6.31

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.69
Solubility :	0.000711 mg/ml ; 0.00000202 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.99
Solubility :	0.00361 mg/ml ; 0.0000103 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-8.22
Solubility :	0.00000214 mg/ml ; 0.0000000061 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.66

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

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