4-(1,1-difluoroethyl)benzoic acid

4-(1,1-difluoroethyl)benzoic acid

CAS: 55805-14-6

Formula: C9H8F2O2

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

IUPAC: 4-(1,1-difluoroethyl)benzoic acid

InChI: InChI=1S/C9H8F2O2/c1-9(10,11)7-4-2-6(3-5-7)8(12)13/h2-5H,1H3,(H,12,13)

Composition: C (58.07%), H (4.33%), F (20.41%), O (17.19%)

Molar Mass: 186.158

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	186.049235824
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JYOQPEQDJAOTAU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.42
Topological Polar Surface Area	37.3
Polarizability	15.9
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	55805-14-6		$74.40-$113.49$74.40$113.49