1-(5-ethylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-one

C16H15F3OS — CID 114967719

IUPAC1-(5-ethylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESCCc1ccc(CC(=O)Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C16H15F3OS/c1-2-14-7-8-15(21-14)10-13(20)9-11-3-5-12(6-4-11)16(17,18)19/h3-8H,2,9-10H2,1H3
InChIKeyUZTHPJOBKQULJN-UHFFFAOYSA-N
MW312.36 g/mol
LogP4.68
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-one

1-(5-ethylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 114967719) has the molecular formula C16H15F3OS and a molecular weight of 312.36 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
PubChem CID114967719
Molecular FormulaC16H15F3OS
Molecular Weight312.36 g/mol
Exact Mass312.08
IUPAC Name1-(5-ethylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESCCc1ccc(CC(=O)Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C16H15F3OS/c1-2-14-7-8-15(21-14)10-13(20)9-11-3-5-12(6-4-11)16(17,18)19/h3-8H,2,9-10H2,1H3
InChIKeyUZTHPJOBKQULJN-UHFFFAOYSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-ethylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-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

1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one
CID 62622317
1-(5-ethylthiophen-2-yl)-4,4-dimethylpentan-2-one
CID 63892354
1-methylsulfanyl-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 62692540
3-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 53443936
1-propylsulfanyl-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 65129885
1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 91020415
1-tert-butylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-one
CID 65133930
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 21016485
2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone
CID 114967718
(E)-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-one
CID 103453232
4,5,5-trimethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-one
CID 63833110
1-(5-ethylthiophen-2-yl)-4,5,5-trimethylhexan-2-one
CID 114967772

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-one (CID 114967719) is 1-(5-ethylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-one is CCc1ccc(CC(=O)Cc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is UZTHPJOBKQULJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3OS/c1-2-14-7-8-15(21-14)10-13(20)9-11-3-5-12(6-4-11)16(17,18)19/h3-8H,2,9-10H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-one?
1-(5-ethylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 312.36 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 114967719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).