3,5-difluoro-4-(pyrrolidine-1-carbonyl)phenylboronic acid

3,5-difluoro-4-(pyrrolidine-1-carbonyl)phenylboronic acid

CAS: 9010-66-6

Formula: C11H12BF2NO3

SMILES: OB(O)C1=CC(F)=C(C(=O)N2CCCC2)C(F)=C1

IUPAC: [3,5-difluoro-4-(pyrrolidine-1-carbonyl)phenyl]boronic acid

InChI: InChI=1S/C11H12BF2NO3/c13-8-5-7(12(17)18)6-9(14)10(8)11(16)15-3-1-2-4-15/h5-6,17-18H,1-4H2

Composition: C (51.81%), H (4.74%), B (4.24%), F (14.90%), N (5.49%), O (18.82%)

Molar Mass: 255.03

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	255.08783
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	SGDMUFAYYHTSRU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.45
Topological Polar Surface Area	60.77
Polarizability	22.53
Ring Count	2
Rotatable Bond Count	2

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