4-Fluorophenylacetyl Chloride

Name: 4-Fluorophenylacetyl Chloride
SKU: PI459041
Rating: 5 (1 reviews)

Catalog NumberPI459041

CAS Number459-04-1

CategoryAntiemetics Intermediates

Product Details

Purity	98%
Molecular Formula	C8H6ClFO
Molecular Weight	172.58
Molar Refractivity	41.17

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Other Identifiers

Pubchem ID	3744988
InChI Key	SIOJFYRPBYGHOO-UHFFFAOYSA-N
MDL Number	MFCD00674181

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	2.51
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.12
Ghose	None
GI Absorption	High
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.56 cm/s
Log Po/w (iLOGP)	1.88
Log Po/w (MLOGP)	2.52
Log Po/w (SILICOS-IT)	3.08
Log Po/w (WLOGP)	2.55
Log Po/w (XLOGP3)	2.53
Muegge	2.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	2
Synthetic Accessibility	1.27
Topological Polar Surface Area	17.07 Å²
Veber	0.0

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