1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C9H9F3O2S — CID 43799451

IUPAC1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCc1ccc(C(=O)COCC(F)(F)F)s1
InChIInChI=1S/C9H9F3O2S/c1-6-2-3-8(15-6)7(13)4-14-5-9(10,11)12/h2-3H,4-5H2,1H3
InChIKeyAWVUBXVUEPSDCN-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.82
Rot. Bonds4

About 1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 43799451) has the molecular formula C9H9F3O2S and a molecular weight of 238.23 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID43799451
Molecular FormulaC9H9F3O2S
Molecular Weight238.23 g/mol
Exact Mass238.03
IUPAC Name1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCc1ccc(C(=O)COCC(F)(F)F)s1
InChIInChI=1S/C9H9F3O2S/c1-6-2-3-8(15-6)7(13)4-14-5-9(10,11)12/h2-3H,4-5H2,1H3
InChIKeyAWVUBXVUEPSDCN-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 43799451) is 1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone is Cc1ccc(C(=O)COCC(F)(F)F)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is AWVUBXVUEPSDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2S/c1-6-2-3-8(15-6)7(13)4-14-5-9(10,11)12/h2-3H,4-5H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 238.23 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 43799451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).