4-phenoxy-2-(trifluoromethyl)aniline

4-phenoxy-2-(trifluoromethyl)aniline

CAS: 106877-21-8

Formula: C13H10F3NO

SMILES: NC1=C(C=C(OC2=CC=CC=C2)C=C1)C(F)(F)F

IUPAC: 4-phenoxy-2-(trifluoromethyl)aniline

InChI: InChI=1S/C13H10F3NO/c14-13(15,16)11-8-10(6-7-12(11)17)18-9-4-2-1-3-5-9/h1-8H,17H2

Composition: C (61.66%), H (3.98%), F (22.51%), N (5.53%), O (6.32%)

Molar Mass: 253.224

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	253.071448435
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	CWKQMUBTZIPBLG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.97
Topological Polar Surface Area	35.25
Polarizability	22.84
Ring Count	2
Rotatable Bond Count	3

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