2-(azepan-1-yl)-5-fluoroaniline dihydrochloride

2-(azepan-1-yl)-5-fluoroaniline dihydrochloride

CAS: 1185053-76-2

Formula: C12H19Cl2FN2

SMILES: Cl.Cl.NC1=C(C=CC(F)=C1)N1CCCCCC1

IUPAC: 2-(azepan-1-yl)-5-fluoroaniline dihydrochloride

InChI: InChI=1S/C12H17FN2.2ClH/c13-10-5-6-12(11(14)9-10)15-7-3-1-2-4-8-15;;/h5-6,9H,1-4,7-8,14H2;2*1H

Composition: C (51.26%), H (6.81%), Cl (25.21%), F (6.76%), N (9.96%)

Molar Mass: 281.2

Atom Count: 36

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	280.0909322
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	STQFBROVJSAXTD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.15
Topological Polar Surface Area	29.26
Polarizability	22.58
Ring Count	2
Rotatable Bond Count	1

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