3-[4-(trifluoromethoxy)phenyl]propanoic acid

3-[4-(trifluoromethoxy)phenyl]propanoic acid

CAS: 886499-74-7

Formula: C10H9F3O3

SMILES: OC(=O)CCC1=CC=C(OC(F)(F)F)C=C1

IUPAC: 3-[4-(trifluoromethoxy)phenyl]propanoic acid

InChI: InChI=1S/C10H9F3O3/c11-10(12,13)16-8-4-1-7(2-5-8)3-6-9(14)15/h1-2,4-5H,3,6H2,(H,14,15)

Composition: C (51.29%), H (3.87%), F (24.34%), O (20.50%)

Molar Mass: 234.174

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	234.050378639
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RRPISZJLUXOOCL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.04
Topological Polar Surface Area	46.53
Polarizability	18.41
Ring Count	1
Rotatable Bond Count	5

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