5-(trifluoromethoxy)-1H-1,3-benzodiazole

5-(trifluoromethoxy)-1H-1,3-benzodiazole

CAS: 911825-64-4

Formula: C8H5F3N2O

SMILES: FC(F)(F)OC1=CC=C2NC=NC2=C1

IUPAC: 5-(trifluoromethoxy)-1H-1,3-benzodiazole

InChI: InChI=1S/C8H5F3N2O/c9-8(10,11)14-5-1-2-6-7(3-5)13-4-12-6/h1-4H,(H,12,13)

Composition: C (47.54%), H (2.49%), F (28.20%), N (13.86%), O (7.91%)

Molar Mass: 202.136

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	202.035397278
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YBOXTUJLDCBPEO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.04
Topological Polar Surface Area	37.91
Polarizability	16.5
Ring Count	2
Rotatable Bond Count	2

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