methyl 2-(trifluoromethyl)pyrimidine-4-carboxylate

methyl 2-(trifluoromethyl)pyrimidine-4-carboxylate

CAS: 878745-51-8

Formula: C7H5F3N2O2

SMILES: COC(=O)C1=CC=NC(=N1)C(F)(F)F

IUPAC: methyl 2-(trifluoromethyl)pyrimidine-4-carboxylate

InChI: InChI=1S/C7H5F3N2O2/c1-14-5(13)4-2-3-11-6(12-4)7(8,9)10/h2-3H,1H3

Composition: C (40.79%), H (2.45%), F (27.65%), N (13.59%), O (15.52%)

Molar Mass: 206.124

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	206.030311898
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VBFLWQBZJODKRL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.01
Topological Polar Surface Area	52.08
Polarizability	14.54
Ring Count	1
Rotatable Bond Count	3

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