4-(trifluoromethyl)quinoline-3-carboxylic acid

4-(trifluoromethyl)quinoline-3-carboxylic acid

CAS: 155495-82-2

Formula: C11H6F3NO2

SMILES: OC(=O)C1=C(C2=CC=CC=C2N=C1)C(F)(F)F

IUPAC: 4-(trifluoromethyl)quinoline-3-carboxylic acid

InChI: InChI=1S/C11H6F3NO2/c12-11(13,14)9-6-3-1-2-4-8(6)15-5-7(9)10(16)17/h1-5H,(H,16,17)

Composition: C (54.78%), H (2.51%), F (23.63%), N (5.81%), O (13.27%)

Molar Mass: 241.169

Atom Count: 23

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	241.035062926
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DPBXCLYXJCGTOU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.21
Topological Polar Surface Area	50.19
Polarizability	20.41
Ring Count	2
Rotatable Bond Count	2

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