4-(difluoromethyl)benzoic acid

4-(difluoromethyl)benzoic acid

CAS: 55805-21-5

Formula: C8H6F2O2

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

IUPAC: 4-(difluoromethyl)benzoic acid

InChI: InChI=1S/C8H6F2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,7H,(H,11,12)

Composition: C (55.82%), H (3.51%), F (22.07%), O (18.59%)

Molar Mass: 172.131

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	172.033585759
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AVYXJQFZBUXNHB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.4
Topological Polar Surface Area	37.3
Polarizability	14.1
Ring Count	1
Rotatable Bond Count	2

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