4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

CAS: 1628317-85-0

Formula: C8H4ClF3N2S

SMILES: FC(F)(F)CC1=CC2=C(Cl)N=CN=C2S1

IUPAC: 4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

InChI: InChI=1S/C8H4ClF3N2S/c9-6-5-1-4(2-8(10,11)12)15-7(5)14-3-13-6/h1,3H,2H2

Composition: C (38.03%), H (1.60%), Cl (14.03%), F (22.56%), N (11.09%), S (12.69%)

Molar Mass: 252.64

Atom Count: 19

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	251.9735815
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DZSVALSILXNFGI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.09
Topological Polar Surface Area	25.78
Polarizability	19.18
Ring Count	2
Rotatable Bond Count	2

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