2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde

2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde

CAS: 133046-48-7

Formula: C5H2F3NOS

SMILES: FC(F)(F)C1=NC(C=O)=CS1

IUPAC: 2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde

InChI: InChI=1S/C5H2F3NOS/c6-5(7,8)4-9-3(1-10)2-11-4/h1-2H

Composition: C (33.16%), H (1.11%), F (31.47%), N (7.73%), O (8.83%), S (17.70%)

Molar Mass: 181.13

Atom Count: 13

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	180.980919351
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KOEUGSAJYCOTJL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.92
Topological Polar Surface Area	29.96
Polarizability	11.7
Ring Count	1
Rotatable Bond Count	2

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