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3-fluoro-4-[(2-methylpentyl)oxy]aniline

3-fluoro-4-[(2-methylpentyl)oxy]aniline

CAS: 946785-53-1

Formula: C12H18FNO

SMILES: CCCC(C)COC1=C(F)C=C(N)C=C1

IUPAC: 3-fluoro-4-[(2-methylpentyl)oxy]aniline

InChI: InChI=1/C12H18FNO/c1-3-4-9(2)8-15-12-6-5-10(14)7-11(12)13/h5-7,9H,3-4,8,14H2,1-2H3

Composition: C (68.22%), H (8.59%), F (8.99%), N (6.63%), O (7.57%)

Molar Mass: 211.28

Atom Count: 33

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 211.137242367
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WCQYYQVHZVUANU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.38
Topological Polar Surface Area 35.25
Polarizability 22.85
Ring Count 1
Rotatable Bond Count 5

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