1-(5-ethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one

C11H13F3O2S — CID 103214009

IUPAC1-(5-ethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESCCc1ccc(CC(=O)COCC(F)(F)F)s1
InChIInChI=1S/C11H13F3O2S/c1-2-9-3-4-10(17-9)5-8(15)6-16-7-11(12,13)14/h3-4H,2,5-7H2,1H3
InChIKeyRJCABARIAACYRN-UHFFFAOYSA-N
MW266.28 g/mol
LogP3.00
Rot. Bonds6

About 1-(5-ethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one

1-(5-ethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one (PubChem CID 103214009) has the molecular formula C11H13F3O2S and a molecular weight of 266.28 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
PubChem CID103214009
Molecular FormulaC11H13F3O2S
Molecular Weight266.28 g/mol
Exact Mass266.06
IUPAC Name1-(5-ethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESCCc1ccc(CC(=O)COCC(F)(F)F)s1
InChIInChI=1S/C11H13F3O2S/c1-2-9-3-4-10(17-9)5-8(15)6-16-7-11(12,13)14/h3-4H,2,5-7H2,1H3
InChIKeyRJCABARIAACYRN-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3-oxo-4-(thiophen-2-yl)butanoate
CID 23033667
1,1,1-Trifluoro-2-hydroxy-5-thiophen-2-ylpentan-3-one
CID 177698918
Ethyl (5-methylthiophen-2-yl)(oxo)acetate
CID 13534763
Ethyl 2-oxo-4-(2-thienyl)butyrate
CID 15373448
Methyl 2-oxo-3-(2-thienyl)propionate
CID 20277529
Methyl 4-[5-(5,5,6,6,6-pentafluorohexanoyl)thiophen-2-yl]butanoate
CID 17782511
Methyl 4-[5-(4,4,5,5,6,6,7,7,7-nonafluoroheptanoyl)thiophen-2-yl]butanoate
CID 17782545
Methyl 4-[5-(6,6,6-trifluorohexanoyl)thiophen-2-yl]butanoate
CID 17782598
Methyl 4-[5-(7,7,7-trifluoroheptanoyl)thiophen-2-yl]butanoate
CID 17782633
Methyl 4-[5-(5,5,5-trifluoropentanoyl)thiophen-2-yl]butanoate
CID 17782640
Methyl 4-[5-(4,4,5,5,6,6,6-heptafluorohexanoyl)thiophen-2-yl]butanoate
CID 17782654
1-(5-Acetylthiophen-2-yl)-2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethanone
CID 58764495

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one (CID 103214009) is 1-(5-ethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one is CCc1ccc(CC(=O)COCC(F)(F)F)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The InChIKey is RJCABARIAACYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2S/c1-2-9-3-4-10(17-9)5-8(15)6-16-7-11(12,13)14/h3-4H,2,5-7H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
1-(5-ethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one has a molecular weight of 266.28 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one is sourced from PubChem (CID 103214009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).