2,6-bis(trifluoromethyl)phenylboronic acid

2,6-bis(trifluoromethyl)phenylboronic acid

CAS: 681812-07-7

Formula: C8H5BF6O2

SMILES: OB(O)C1=C(C=CC=C1C(F)(F)F)C(F)(F)F

IUPAC: [2,6-bis(trifluoromethyl)phenyl]boronic acid

InChI: InChI=1S/C8H5BF6O2/c10-7(11,12)4-2-1-3-5(8(13,14)15)6(4)9(16)17/h1-3,16-17H

Composition: C (37.25%), H (1.95%), B (4.19%), F (44.19%), O (12.41%)

Molar Mass: 257.93

Atom Count: 22

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	258.028678
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	WAMPGNNEOZGBHR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.55
Topological Polar Surface Area	40.46
Polarizability	16.47
Ring Count	1
Rotatable Bond Count	3

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