3,5-bis(2,2,2-trifluoroethoxy)aniline

3,5-bis(2,2,2-trifluoroethoxy)aniline

CAS: 438530-76-8

Formula: C10H9F6NO2

SMILES: NC1=CC(OCC(F)(F)F)=CC(OCC(F)(F)F)=C1

IUPAC: 3,5-bis(2,2,2-trifluoroethoxy)aniline

InChI: InChI=1S/C10H9F6NO2/c11-9(12,13)4-18-7-1-6(17)2-8(3-7)19-5-10(14,15)16/h1-3H,4-5,17H2

Composition: C (41.54%), H (3.14%), F (39.42%), N (4.84%), O (11.07%)

Molar Mass: 289.177

Atom Count: 28

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	289.053747512
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OSOJQURMIYYFAY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.58
Topological Polar Surface Area	44.48
Polarizability	19.47
Ring Count	1
Rotatable Bond Count	6

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