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

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

CAS: 53473-36-2

Formula: C10H9F3O2

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

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

InChI: InChI=1S/C10H9F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-2,4-5H,3,6H2,(H,14,15)

Composition: C (55.05%), H (4.16%), F (26.12%), O (14.67%)

Molar Mass: 218.175

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.055464019
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OEIUMLSCWINLBB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.94
Topological Polar Surface Area	37.3
Polarizability	17.62
Ring Count	1
Rotatable Bond Count	4

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