methyl 2,5-difluoro-4-(4-methylpiperazin-1-yl)benzoate

methyl 2,5-difluoro-4-(4-methylpiperazin-1-yl)benzoate

CAS: 1858251-84-9

Formula: C13H16F2N2O2

SMILES: COC(=O)C1=CC(F)=C(C=C1F)N1CCN(C)CC1

IUPAC: methyl 2,5-difluoro-4-(4-methylpiperazin-1-yl)benzoate

InChI: InChI=1S/C13H16F2N2O2/c1-16-3-5-17(6-4-16)12-8-10(14)9(7-11(12)15)13(18)19-2/h7-8H,3-6H2,1-2H3

Composition: C (57.77%), H (5.97%), F (14.06%), N (10.36%), O (11.84%)

Molar Mass: 270.28

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	270.117984089
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	TUMHCAVQFOKDHD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.99
Topological Polar Surface Area	32.78
Polarizability	25.34
Ring Count	2
Rotatable Bond Count	3

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