2-fluoro-5-(piperidine-1-carbonyl)phenylboronic acid

2-fluoro-5-(piperidine-1-carbonyl)phenylboronic acid

CAS: 874289-43-7

Formula: C12H15BFNO3

SMILES: OB(O)C1=CC(=CC=C1F)C(=O)N1CCCCC1

IUPAC: [2-fluoro-5-(piperidine-1-carbonyl)phenyl]boronic acid

InChI: InChI=1S/C12H15BFNO3/c14-11-5-4-9(8-10(11)13(17)18)12(16)15-6-2-1-3-7-15/h4-5,8,17-18H,1-3,6-7H2

Composition: C (57.41%), H (6.02%), B (4.31%), F (7.57%), N (5.58%), O (19.12%)

Molar Mass: 251.06

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	251.112902
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PBARTZZYZFNCJU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.83
Topological Polar Surface Area	60.77
Polarizability	24.56
Ring Count	2
Rotatable Bond Count	2

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