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Thiophene, 4-methyl-2-[4-(trifluoromethyl)phenyl]-

HCID 21986373
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1csc(-c2ccc(C(F)(F)F)cc2)c1
InChIKey
OWRHGCYCEFTOQH-UHFFFAOYSA-N
Molecular formula
C12H9F3S
Average molar mass
242.26 g/mol

Names & identifiers

Preferred name
Thiophene, 4-methyl-2-[4-(trifluoromethyl)phenyl]-
IUPAC
4-methyl-2-[4-(trifluoromethyl)phenyl]thiophene

Names & synonyms

Thiophene, 4-methyl-2-[4-(trifluoromethyl)phenyl]-SCHEMBL694061SCHEMBL6957334-methyl-2-[4-(trifluoromethyl)phenyl]thiophene

Database identifiers

PubChem CID
21986373

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
28.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
231

Related reactions

3 records
New reaction record
HRID 9666 reaction equation
HRID 9666As productuspto-grants-2006_08
HRID 9667 reaction equation
HRID 9667As reactantuspto-grants-2006_08
HRID 1232170 reaction equation
HRID 1232170As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes