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2-(quinolin-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol

2-(quinolin-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol

CAS: 496947-30-9

Formula: C18H14F3NO

SMILES: OC(CC1=CC=C2C=CC=CC2=N1)C1=CC=C(C=C1)C(F)(F)F

IUPAC: 2-(quinolin-2-yl)-1-[4-(trifluoromethyl)phenyl]ethan-1-ol

InChI: InChI=1/C18H14F3NO/c19-18(20,21)14-8-5-13(6-9-14)17(23)11-15-10-7-12-3-1-2-4-16(12)22-15/h1-10,17,23H,11H2

Composition: C (68.13%), H (4.45%), F (17.96%), N (4.41%), O (5.04%)

Molar Mass: 317.311

Atom Count: 37

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 317.102748564
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey TWXZARYDNLBGFM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.23
Topological Polar Surface Area 33.12
Polarizability 31.67
Ring Count 3
Rotatable Bond Count 4

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