2,2,2-trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-yl]ethanone

C13H9F3O2S — CID 44543407

IUPAC2,2,2-trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-yl]ethanone
SMILESCOc1ccc(-c2ccc(C(=O)C(F)(F)F)s2)cc1
InChIInChI=1S/C13H9F3O2S/c1-18-9-4-2-8(3-5-9)10-6-7-11(19-10)12(17)13(14,15)16/h2-7H,1H3
InChIKeyOHIDCOIXXPTKGQ-UHFFFAOYSA-N
MW286.27 g/mol
LogP4.17
Rot. Bonds3

About 2,2,2-trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-yl]ethanone

2,2,2-trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-yl]ethanone (PubChem CID 44543407) has the molecular formula C13H9F3O2S and a molecular weight of 286.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-yl]ethanone
PubChem CID44543407
Molecular FormulaC13H9F3O2S
Molecular Weight286.27 g/mol
Exact Mass286.03
IUPAC Name2,2,2-trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-yl]ethanone
SMILESCOc1ccc(-c2ccc(C(=O)C(F)(F)F)s2)cc1
InChIInChI=1S/C13H9F3O2S/c1-18-9-4-2-8(3-5-9)10-6-7-11(19-10)12(17)13(14,15)16/h2-7H,1H3
InChIKeyOHIDCOIXXPTKGQ-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-yl]ethanone (CID 44543407) is 2,2,2-trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-yl]ethanone is COc1ccc(-c2ccc(C(=O)C(F)(F)F)s2)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-yl]ethanone?
The InChIKey is OHIDCOIXXPTKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O2S/c1-18-9-4-2-8(3-5-9)10-6-7-11(19-10)12(17)13(14,15)16/h2-7H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-yl]ethanone?
2,2,2-trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-yl]ethanone has a molecular weight of 286.27 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 44543407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).