3-[2-methyl-3-(trifluoromethyl)phenyl]propanoic acid

3-[2-methyl-3-(trifluoromethyl)phenyl]propanoic acid

CAS: 1017777-98-8

Formula: C11H11F3O2

SMILES: CC1=C(C=CC=C1CCC(O)=O)C(F)(F)F

IUPAC: 3-[2-methyl-3-(trifluoromethyl)phenyl]propanoic acid

InChI: InChI=1S/C11H11F3O2/c1-7-8(5-6-10(15)16)3-2-4-9(7)11(12,13)14/h2-4H,5-6H2,1H3,(H,15,16)

Composition: C (56.90%), H (4.78%), F (24.55%), O (13.78%)

Molar Mass: 232.202

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	232.071114083
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	MHVYTEBUXSYYCO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.98
Topological Polar Surface Area	37.3
Polarizability	19.34
Ring Count	1
Rotatable Bond Count	4

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