4-(difluoromethyl)-3,5-difluorophenylboronic acid

4-(difluoromethyl)-3,5-difluorophenylboronic acid

CAS: 1418595-79-5

Formula: C7H5BF4O2

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

IUPAC: [4-(difluoromethyl)-3,5-difluorophenyl]boronic acid

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

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	TZFBVIVPHAPUPS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.12
Topological Polar Surface Area	40.46
Polarizability	14.67
Ring Count	1
Rotatable Bond Count	2

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