2-(5-fluoro-2-methoxyphenyl)azepane

2-(5-fluoro-2-methoxyphenyl)azepane

CAS: 901921-65-1

Formula: C13H18FNO

SMILES: COC1=C(C=C(F)C=C1)C1CCCCCN1

IUPAC: 2-(5-fluoro-2-methoxyphenyl)azepane

InChI: InChI=1/C13H18FNO/c1-16-13-7-6-10(14)9-11(13)12-5-3-2-4-8-15-12/h6-7,9,12,15H,2-5,8H2,1H3

Composition: C (69.93%), H (8.13%), F (8.51%), N (6.27%), O (7.17%)

Molar Mass: 223.291

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	223.137242367
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	UIZJEQKILOKIAQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.4
Topological Polar Surface Area	21.26
Polarizability	24.34
Ring Count	2
Rotatable Bond Count	2

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