3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-one

C14H11F3OS — CID 114973258

IUPAC3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(CCc1cccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H11F3OS/c15-14(16,17)12-6-2-1-5-11(12)13(18)8-7-10-4-3-9-19-10/h1-6,9H,7-8H2
InChIKeyFKSNGHVNNABBHR-UHFFFAOYSA-N
MW284.30 g/mol
LogP4.58
Rot. Bonds4

About 3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-one

3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 114973258) has the molecular formula C14H11F3OS and a molecular weight of 284.30 g/mol. Its IUPAC name is 3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-one
PubChem CID114973258
Molecular FormulaC14H11F3OS
Molecular Weight284.30 g/mol
Exact Mass284.05
IUPAC Name3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(CCc1cccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H11F3OS/c15-14(16,17)12-6-2-1-5-11(12)13(18)8-7-10-4-3-9-19-10/h1-6,9H,7-8H2
InChIKeyFKSNGHVNNABBHR-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide
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1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one
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1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one
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1-(3-bromo-2-methylphenyl)-3-thiophen-2-ylpropan-1-one
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3-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-one
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1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone
CID 146008833
1-[2-(trifluoromethyl)phenyl]but-3-yn-1-one
CID 114962023
3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 103024106
4-ethyl-4-hydroxy-1-thiophen-2-ylhexan-3-one
CID 103447105
4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid
CID 174398681
1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009091
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide
CID 16896225

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-one (CID 114973258) is 3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-one is O=C(CCc1cccs1)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is FKSNGHVNNABBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3OS/c15-14(16,17)12-6-2-1-5-11(12)13(18)8-7-10-4-3-9-19-10/h1-6,9H,7-8H2.
What are the key properties of 3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-one?
3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 284.30 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 114973258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).