5-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-3-(trifluoromethyl)furan-2-one

C17H13F3O2S — CID 11393589

IUPAC5-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-3-(trifluoromethyl)furan-2-one
SMILESCc1ccc(C2=CC(Cc3cccs3)(C(F)(F)F)C(=O)O2)cc1
InChIInChI=1S/C17H13F3O2S/c1-11-4-6-12(7-5-11)14-10-16(15(21)22-14,17(18,19)20)9-13-3-2-8-23-13/h2-8,10H,9H2,1H3
InChIKeyPRRRUGLELADBRT-UHFFFAOYSA-N
MW338.35 g/mol
LogP4.75
Rot. Bonds3

About 5-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-3-(trifluoromethyl)furan-2-one

5-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-3-(trifluoromethyl)furan-2-one (PubChem CID 11393589) has the molecular formula C17H13F3O2S and a molecular weight of 338.35 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-3-(trifluoromethyl)furan-2-one.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-3-(trifluoromethyl)furan-2-one
PubChem CID11393589
Molecular FormulaC17H13F3O2S
Molecular Weight338.35 g/mol
Exact Mass338.06
IUPAC Name5-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-3-(trifluoromethyl)furan-2-one
SMILESCc1ccc(C2=CC(Cc3cccs3)(C(F)(F)F)C(=O)O2)cc1
InChIInChI=1S/C17H13F3O2S/c1-11-4-6-12(7-5-11)14-10-16(15(21)22-14,17(18,19)20)9-13-3-2-8-23-13/h2-8,10H,9H2,1H3
InChIKeyPRRRUGLELADBRT-UHFFFAOYSA-N
XLogP4.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-3-(trifluoromethyl)furan-2-one 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-[2-(4-methylphenyl)ethyl]thiophene
CID 10488340
2-[4-(4-methylphenyl)butyl]thiophene
CID 10585578
(4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
CID 95655308
2-[(4-methylphenyl)methylsulfanylmethyl]thiophene
CID 5159898
2-[2-chloro-4-(4-methylphenyl)butyl]thiophene
CID 55223117
2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol
CID 65145168
3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 164646289
2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 46571619
3-(4-methylphenyl)-1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798620
3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine
CID 130574546
2-(2,2-difluoro-2-iodoethyl)thiophene
CID 175168405
2-(4-methylphenoxy)-3-thiophen-2-ylpropanamide
CID 135281307

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-3-(trifluoromethyl)furan-2-one?
The IUPAC name of 5-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-3-(trifluoromethyl)furan-2-one (CID 11393589) is 5-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-3-(trifluoromethyl)furan-2-one.
What is the SMILES notation for 5-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-3-(trifluoromethyl)furan-2-one?
The canonical SMILES for 5-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-3-(trifluoromethyl)furan-2-one is Cc1ccc(C2=CC(Cc3cccs3)(C(F)(F)F)C(=O)O2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-3-(trifluoromethyl)furan-2-one?
The InChIKey is PRRRUGLELADBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O2S/c1-11-4-6-12(7-5-11)14-10-16(15(21)22-14,17(18,19)20)9-13-3-2-8-23-13/h2-8,10H,9H2,1H3.
What are the key properties of 5-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-3-(trifluoromethyl)furan-2-one?
5-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-3-(trifluoromethyl)furan-2-one has a molecular weight of 338.35 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-3-(trifluoromethyl)furan-2-one is sourced from PubChem (CID 11393589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).