5-fluoro-2-(oxan-2-ylmethoxy)aniline

5-fluoro-2-(oxan-2-ylmethoxy)aniline

CAS: 946683-79-0

Formula: C12H16FNO2

SMILES: NC1=C(OCC2CCCCO2)C=CC(F)=C1

IUPAC: 5-fluoro-2-[(oxan-2-yl)methoxy]aniline

InChI: InChI=1/C12H16FNO2/c13-9-4-5-12(11(14)7-9)16-8-10-3-1-2-6-15-10/h4-5,7,10H,1-3,6,8,14H2

Composition: C (63.98%), H (7.16%), F (8.43%), N (6.22%), O (14.20%)

Molar Mass: 225.263

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	225.116506922
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZOAQUIWZZYQJRO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.29
Topological Polar Surface Area	44.48
Polarizability	22.85
Ring Count	2
Rotatable Bond Count	3

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