3,3-difluoro-3-(4-fluorophenyl)propanoic acid

3,3-difluoro-3-(4-fluorophenyl)propanoic acid

CAS: 1782807-58-2

Formula: C9H7F3O2

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

IUPAC: 3,3-difluoro-3-(4-fluorophenyl)propanoic acid

InChI: InChI=1S/C9H7F3O2/c10-7-3-1-6(2-4-7)9(11,12)5-8(13)14/h1-4H,5H2,(H,13,14)

Composition: C (52.95%), H (3.46%), F (27.92%), O (15.67%)

Molar Mass: 204.148

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	204.039813954
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OQGRYYZMVHZTIE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.25
Topological Polar Surface Area	37.3
Polarizability	15.8
Ring Count	1
Rotatable Bond Count	3

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