5-(chloromethyl)-4-methyl-2-(trifluoromethyl)pyrimidine

5-(chloromethyl)-4-methyl-2-(trifluoromethyl)pyrimidine

CAS: 1638221-46-1

Formula: C7H6ClF3N2

SMILES: CC1=C(CCl)C=NC(=N1)C(F)(F)F

IUPAC: 5-(chloromethyl)-4-methyl-2-(trifluoromethyl)pyrimidine

InChI: InChI=1S/C7H6ClF3N2/c1-4-5(2-8)3-12-6(13-4)7(9,10)11/h3H,2H2,1H3

Composition: C (39.93%), H (2.87%), Cl (16.83%), F (27.07%), N (13.30%)

Molar Mass: 210.58

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	210.0171604
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	HFCUOFAIABHBRI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.82
Topological Polar Surface Area	25.78
Polarizability	15.41
Ring Count	1
Rotatable Bond Count	2

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