1-[5-(trifluoromethyl)thiophen-3-yl]oxypropan-2-one

C8H7F3O2S — CID 70035525

IUPAC1-[5-(trifluoromethyl)thiophen-3-yl]oxypropan-2-one
SMILESCC(=O)COc1csc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3O2S/c1-5(12)3-13-6-2-7(14-4-6)8(9,10)11/h2,4H,3H2,1H3
InChIKeyLODVBYKBELYLKJ-UHFFFAOYSA-N
MW224.20 g/mol
LogP2.73
Rot. Bonds3

About 1-[5-(trifluoromethyl)thiophen-3-yl]oxypropan-2-one

1-[5-(trifluoromethyl)thiophen-3-yl]oxypropan-2-one (PubChem CID 70035525) has the molecular formula C8H7F3O2S and a molecular weight of 224.20 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)thiophen-3-yl]oxypropan-2-one.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)thiophen-3-yl]oxypropan-2-one
PubChem CID70035525
Molecular FormulaC8H7F3O2S
Molecular Weight224.20 g/mol
Exact Mass224.01
IUPAC Name1-[5-(trifluoromethyl)thiophen-3-yl]oxypropan-2-one
SMILESCC(=O)COc1csc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3O2S/c1-5(12)3-13-6-2-7(14-4-6)8(9,10)11/h2,4H,3H2,1H3
InChIKeyLODVBYKBELYLKJ-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)thiophen-3-yl]oxypropan-2-one?
The IUPAC name of 1-[5-(trifluoromethyl)thiophen-3-yl]oxypropan-2-one (CID 70035525) is 1-[5-(trifluoromethyl)thiophen-3-yl]oxypropan-2-one.
What is the SMILES notation for 1-[5-(trifluoromethyl)thiophen-3-yl]oxypropan-2-one?
The canonical SMILES for 1-[5-(trifluoromethyl)thiophen-3-yl]oxypropan-2-one is CC(=O)COc1csc(C(F)(F)F)c1.
What is the InChIKey of 1-[5-(trifluoromethyl)thiophen-3-yl]oxypropan-2-one?
The InChIKey is LODVBYKBELYLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O2S/c1-5(12)3-13-6-2-7(14-4-6)8(9,10)11/h2,4H,3H2,1H3.
What are the key properties of 1-[5-(trifluoromethyl)thiophen-3-yl]oxypropan-2-one?
1-[5-(trifluoromethyl)thiophen-3-yl]oxypropan-2-one has a molecular weight of 224.20 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)thiophen-3-yl]oxypropan-2-one is sourced from PubChem (CID 70035525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).