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4-{[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine

4-{[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine

CAS: 1256360-51-6

Formula: C17H25BFNO3

SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC(CN2CCOCC2)=C1F

IUPAC: 4-{[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine

InChI: InChI=1S/C17H25BFNO3/c1-16(2)17(3,4)23-18(22-16)14-7-5-6-13(15(14)19)12-20-8-10-21-11-9-20/h5-7H,8-12H2,1-4H3

Composition: C (63.57%), H (7.85%), B (3.37%), F (5.91%), N (4.36%), O (14.94%)

Molar Mass: 321.2

Atom Count: 48

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 321.191152
Formal Charge 0
FSP3 0.65
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey VSRFPDFCDOCPEQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.55
Topological Polar Surface Area 30.93
Polarizability 34.35
Ring Count 3
Rotatable Bond Count 3

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