5-(trifluoromethyl)pyrimidine

5-(trifluoromethyl)pyrimidine

CAS: 176214-12-3

Formula: C5H3F3N2

SMILES: FC(F)(F)C1=CN=CN=C1

IUPAC: 5-(trifluoromethyl)pyrimidine

InChI: InChI=1S/C5H3F3N2/c6-5(7,8)4-1-9-3-10-2-4/h1-3H

Composition: C (40.55%), H (2.04%), F (38.49%), N (18.92%)

Molar Mass: 148.088

Atom Count: 13

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	148.024832594
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CPCHRGFQWZMVNX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	28.7
Topological Polar Surface Area	25.78
Polarizability	9.98
Ring Count	1
Rotatable Bond Count	1

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