Compound C9H12F4S

2,2,3,3-tetrafluoro-3a-methyl-5,6,7,7a-tetrahydro-4H-1-benzothiophene

CAS: 100333-46-8

Molecular Formula	`C9H12F4S`
Molecular Weight	228.25 g/mol
LogP	4.2
Topological Polar Surface Area	25.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	0
Exact Mass	228.05959
Heavy Atoms	14
Complexity	253.0

Chemical Identifiers

CAS Number	100333-46-8
SMILES	`CC12CCCCC1SC(C2(F)F)(F)F`
InChIKey	`PWPAHHYVPWMKQF-UHFFFAOYSA-N`

📖 Product Overview

Compound C9H12F4S (CAS: 100333-46-8) is a chemical compound with molecular formula C9H12F4S and molecular weight 228.25 g/mol. Its IUPAC systematic name is 2,2,3,3-tetrafluoro-3a-methyl-5,6,7,7a-tetrahydro-4H-1-benzothiophene. LogP 4.2 Topological Polar Surface Area 25.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 0 Exact Mass 228.05959 Heavy Atoms 14 Complexity 253.0 InChI Key: PWPAHHYVPWMKQF-UHFFFAOYSA-N. SMILES: CC12CCCCC1SC(C2(F)F)(F)F.

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