5-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydrothiophene

C12H11F3S — CID 25185539

IUPAC5-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydrothiophene
SMILESCC1=CC(c2ccc(C(F)(F)F)cc2)CS1
InChIInChI=1S/C12H11F3S/c1-8-6-10(7-16-8)9-2-4-11(5-3-9)12(13,14)15/h2-6,10H,7H2,1H3
InChIKeyOEJOQKCCOLWWIR-UHFFFAOYSA-N
MW244.28 g/mol
LogP4.44
Rot. Bonds1

About 5-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydrothiophene

5-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydrothiophene (PubChem CID 25185539) has the molecular formula C12H11F3S and a molecular weight of 244.28 g/mol. Its IUPAC name is 5-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydrothiophene
PubChem CID25185539
Molecular FormulaC12H11F3S
Molecular Weight244.28 g/mol
Exact Mass244.05
IUPAC Name5-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydrothiophene
SMILESCC1=CC(c2ccc(C(F)(F)F)cc2)CS1
InChIInChI=1S/C12H11F3S/c1-8-6-10(7-16-8)9-2-4-11(5-3-9)12(13,14)15/h2-6,10H,7H2,1H3
InChIKeyOEJOQKCCOLWWIR-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydrothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4'-Methylphenyl)-1,3-dithiolane
CID 31708
Benzyl 2,2,2-trifluoroethyl sulfide
CID 2737790
(((Difluoromethyl)sulfanyl)methyl)benzene
CID 11557371
Benzyl trifluoromethyl sulfide
CID 3782775
1,3-Dithiolane, 2-methyl-2-(p-tolyl)-
CID 38773
1,3-Dithiolane, 2-ethyl-2-(p-fluorophenyl)-
CID 38775
1,3-Dithiolane, 2-(2,4-xylyl)-
CID 55018
1,1,1-Trifluoro-3-[(4-methylphenyl)methylsulfanyl]propan-2-one
CID 76313034
Methyl[4-(trifluoromethyl)benzyl] sulfoxide
CID 102532950
Benzyl 1H,1H-heptafluorobutyl sulfide
CID 85760819
1-Isopropyl-4-(trifluoromethyl)benzene
CID 599680
[Phenyl(trifluoromethylsulfanyl)methyl]benzene
CID 12077066

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydrothiophene?
The IUPAC name of 5-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydrothiophene (CID 25185539) is 5-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydrothiophene.
What is the SMILES notation for 5-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydrothiophene?
The canonical SMILES for 5-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydrothiophene is CC1=CC(c2ccc(C(F)(F)F)cc2)CS1.
What is the InChIKey of 5-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydrothiophene?
The InChIKey is OEJOQKCCOLWWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3S/c1-8-6-10(7-16-8)9-2-4-11(5-3-9)12(13,14)15/h2-6,10H,7H2,1H3.
What are the key properties of 5-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydrothiophene?
5-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydrothiophene has a molecular weight of 244.28 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydrothiophene is sourced from PubChem (CID 25185539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).