3-(3-fluoro-4-methoxyphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene

3-(3-fluoro-4-methoxyphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene

CAS: 1370595-16-6

Formula: C13H16FN3O2

SMILES: COC1=C(F)C=C(C=C1)C1=NC2(CCNCC2)ON1

IUPAC: 3-(3-fluoro-4-methoxyphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene

InChI: InChI=1S/C13H16FN3O2/c1-18-11-3-2-9(8-10(11)14)12-16-13(19-17-12)4-6-15-7-5-13/h2-3,8,15H,4-7H2,1H3,(H,16,17)

Composition: C (58.86%), H (6.08%), F (7.16%), N (15.84%), O (12.06%)

Molar Mass: 265.288

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	265.12265493
Formal Charge	0
FSP3	0.46
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	XMDLBJRSRIOOPX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.17
Topological Polar Surface Area	54.88
Polarizability	26.22
Ring Count	3
Rotatable Bond Count	2

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