3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]aniline

3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]aniline

CAS: 1197229-53-0

Formula: C9H6F3N3O

SMILES: NC1=CC=CC(=C1)C1=NN=C(O1)C(F)(F)F

IUPAC: 3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]aniline

InChI: InChI=1S/C9H6F3N3O/c10-9(11,12)8-15-14-7(16-8)5-2-1-3-6(13)4-5/h1-4H,13H2

Composition: C (47.17%), H (2.64%), F (24.87%), N (18.34%), O (6.98%)

Molar Mass: 229.162

Atom Count: 22

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	229.046296314
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UPLZFZHUNUYGBX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.24
Topological Polar Surface Area	64.94
Polarizability	18.15
Ring Count	2
Rotatable Bond Count	2

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