2-fluoro-4-(4-methylpiperazin-1-yl)benzaldehyde

2-fluoro-4-(4-methylpiperazin-1-yl)benzaldehyde

CAS: 1197193-42-2

Formula: C12H15FN2O

SMILES: CN1CCN(CC1)C1=CC=C(C=O)C(F)=C1

IUPAC: 2-fluoro-4-(4-methylpiperazin-1-yl)benzaldehyde

InChI: InChI=1S/C12H15FN2O/c1-14-4-6-15(7-5-14)11-3-2-10(9-16)12(13)8-11/h2-3,8-9H,4-7H2,1H3

Composition: C (64.85%), H (6.80%), F (8.55%), N (12.60%), O (7.20%)

Molar Mass: 222.263

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	222.116841274
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YZBVGNIPKBFUIS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.34
Topological Polar Surface Area	23.55
Polarizability	23.03
Ring Count	2
Rotatable Bond Count	2

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