2-{4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}pyrimidine

2-{4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}pyrimidine

CAS: 848904-66-5

Formula: C16H15F3N4O

SMILES: FC(F)(F)C1=CC=C(C=C1)C(=O)N1CCN(CC1)C1=NC=CC=N1

IUPAC: 2-{4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}pyrimidine

InChI: InChI=1S/C16H15F3N4O/c17-16(18,19)13-4-2-12(3-5-13)14(24)22-8-10-23(11-9-22)15-20-6-1-7-21-15/h1-7H,8-11H2

Composition: C (57.14%), H (4.50%), F (16.95%), N (16.66%), O (4.76%)

Molar Mass: 336.318

Atom Count: 39

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	336.119795608
Formal Charge	0
FSP3	0.31
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	UDBBBDVRDSLFPF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.06
Topological Polar Surface Area	49.33
Polarizability	29.9
Ring Count	3
Rotatable Bond Count	3

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