2-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]-1,3-benzothiazole

CAS: 100333-44-6

Molecular Formula	`C11H5F6NS`
Molecular Weight	297.22 g/mol
LogP	5.3
Topological Polar Surface Area	41.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	1
Exact Mass	297.0047
Heavy Atoms	19
Complexity	345.0

Chemical Identifiers

CAS Number	100333-44-6
SMILES	`C1=CC=C2C(=C1)N=C(S2)C=C(C(F)(F)F)C(F)(F)F`
InChIKey	`PDKKHDDGXFZCFZ-UHFFFAOYSA-N`

📖 Product Overview

2-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]-1,3-benzothiazole (CAS: 100333-44-6) is a chemical compound with molecular formula C11H5F6NS and molecular weight 297.22 g/mol. Its IUPAC systematic name is 2-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]-1,3-benzothiazole. LogP 5.3 Topological Polar Surface Area 41.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 8 Rotatable Bonds 1 Exact Mass 297.0047 Heavy Atoms 19 Complexity 345.0 InChI Key: PDKKHDDGXFZCFZ-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)N=C(S2)C=C(C(F)(F)F)C(F)(F)F.

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