5-(diethylcarbamoyl)-2-fluorophenylboronic acid

5-(diethylcarbamoyl)-2-fluorophenylboronic acid

CAS: 874289-47-1

Formula: C11H15BFNO3

SMILES: CCN(CC)C(=O)C1=CC=C(F)C(=C1)B(O)O

IUPAC: [5-(diethylcarbamoyl)-2-fluorophenyl]boronic acid

InChI: InChI=1S/C11H15BFNO3/c1-3-14(4-2)11(15)8-5-6-10(13)9(7-8)12(16)17/h5-7,16-17H,3-4H2,1-2H3

Composition: C (55.27%), H (6.32%), B (4.52%), F (7.95%), N (5.86%), O (20.08%)

Molar Mass: 239.05

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	239.112902
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NTSWNBMMPRHGHE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.19
Topological Polar Surface Area	60.77
Polarizability	23.45
Ring Count	1
Rotatable Bond Count	4

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