1-thiophen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanone

C9H9F3O2S — CID 66274607

IUPAC1-thiophen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanone
SMILESCC(OCC(=O)c1cccs1)C(F)(F)F
InChIInChI=1S/C9H9F3O2S/c1-6(9(10,11)12)14-5-7(13)8-3-2-4-15-8/h2-4,6H,5H2,1H3
InChIKeyJZMIPNFGCCRNPU-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.90
Rot. Bonds4

About 1-thiophen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanone

1-thiophen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanone (PubChem CID 66274607) has the molecular formula C9H9F3O2S and a molecular weight of 238.23 g/mol. Its IUPAC name is 1-thiophen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanone.

Molecular Properties

Compound Name1-thiophen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanone
PubChem CID66274607
Molecular FormulaC9H9F3O2S
Molecular Weight238.23 g/mol
Exact Mass238.03
IUPAC Name1-thiophen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanone
SMILESCC(OCC(=O)c1cccs1)C(F)(F)F
InChIInChI=1S/C9H9F3O2S/c1-6(9(10,11)12)14-5-7(13)8-3-2-4-15-8/h2-4,6H,5H2,1H3
InChIKeyJZMIPNFGCCRNPU-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-thiopheneglyoxylate
CID 77693
Ethyl 2,2-difluoro-2-(thiophen-2-yl)acetate
CID 10512456
(2S)-2-hydroxy-1-thiophen-2-ylpropan-1-one
CID 10197802
2-Hydroxy-1-(thiophen-2-yl)propan-1-one
CID 15048019
[1-(Benzenesulfonyl)-2-oxo-2-thiophen-2-ylethyl] trifluoromethanesulfonate
CID 177855359
Methyl alpha-oxo-2-thiopheneacetate
CID 11217486
Ethyl (5-methylthiophen-2-yl)(oxo)acetate
CID 13534763
2-Thenoylmethyl acetate
CID 13795100
Ethanone, 2-hydroxy-1-(2-thienyl)-
CID 15584261
1-(2-Thienyl)-3,3,3-trifluoro-2-hydroxy-1-propanone
CID 10774790
2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]-1-thiophen-2-ylethanone
CID 21093209
2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-thiophen-2-ylethanone
CID 58764494

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanone?
The IUPAC name of 1-thiophen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanone (CID 66274607) is 1-thiophen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanone.
What is the SMILES notation for 1-thiophen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanone?
The canonical SMILES for 1-thiophen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanone is CC(OCC(=O)c1cccs1)C(F)(F)F.
What is the InChIKey of 1-thiophen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanone?
The InChIKey is JZMIPNFGCCRNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2S/c1-6(9(10,11)12)14-5-7(13)8-3-2-4-15-8/h2-4,6H,5H2,1H3.
What are the key properties of 1-thiophen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanone?
1-thiophen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanone has a molecular weight of 238.23 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanone is sourced from PubChem (CID 66274607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).