2-fluoro-4-(trifluoromethyl)phenylboronic acid

2-fluoro-4-(trifluoromethyl)phenylboronic acid

CAS: 503309-11-3

Formula: C7H5BF4O2

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

IUPAC: [2-fluoro-4-(trifluoromethyl)phenyl]boronic acid

InChI: InChI=1S/C7H5BF4O2/c9-6-3-4(7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H

Composition: C (40.44%), H (2.42%), B (5.20%), F (36.55%), O (15.39%)

Molar Mass: 207.92

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	208.031872
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	SSFSVKVWAURAAM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.79
Topological Polar Surface Area	40.46
Polarizability	14.71
Ring Count	1
Rotatable Bond Count	2

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