2-(3-tert-butylphenoxy)-5-fluoroaniline

2-(3-tert-butylphenoxy)-5-fluoroaniline

CAS: 946729-46-0

Formula: C16H18FNO

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

IUPAC: 2-(3-tert-butylphenoxy)-5-fluoroaniline

InChI: InChI=1S/C16H18FNO/c1-16(2,3)11-5-4-6-13(9-11)19-15-8-7-12(17)10-14(15)18/h4-10H,18H2,1-3H3

Composition: C (74.11%), H (7.00%), F (7.33%), N (5.40%), O (6.17%)

Molar Mass: 259.324

Atom Count: 37

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	259.137242367
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	QDRJLRIEDZDQLV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.88
Topological Polar Surface Area	35.25
Polarizability	28.73
Ring Count	2
Rotatable Bond Count	3

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