(3-methoxythiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone

C13H9F3O2S — CID 81118835

IUPAC(3-methoxythiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccsc1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3O2S/c1-18-10-5-6-19-12(10)11(17)8-3-2-4-9(7-8)13(14,15)16/h2-7H,1H3
InChIKeyRJIBSOIISZJSIT-UHFFFAOYSA-N
MW286.27 g/mol
LogP4.01
Rot. Bonds3

About (3-methoxythiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone

(3-methoxythiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 81118835) has the molecular formula C13H9F3O2S and a molecular weight of 286.27 g/mol. Its IUPAC name is (3-methoxythiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-methoxythiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID81118835
Molecular FormulaC13H9F3O2S
Molecular Weight286.27 g/mol
Exact Mass286.03
IUPAC Name(3-methoxythiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccsc1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3O2S/c1-18-10-5-6-19-12(10)11(17)8-3-2-4-9(7-8)13(14,15)16/h2-7H,1H3
InChIKeyRJIBSOIISZJSIT-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoro-1-[5-(4-methoxyphenyl)-2-thienyl]ethanone
CID 44543407
(4-Methoxyphenyl)-2-thienylmethanone
CID 77812
(2-Methoxyphenyl)-[3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone
CID 145989245
(E)-3-(3,4-Difluoro-phenyl)-1-(2-methoxy-4-thiophen-2-yl-phenyl)-propenone
CID 22025555
2,2,2-Trifluoro-1-[5-(2-methoxyphenyl)thiophen-2-yl]ethanone
CID 44541230
2,2,2-Trifluoro-1-[5-(3-methoxyphenyl)thiophen-2-yl]ethanone
CID 44543403
2-Methoxyphenyl thienyl ketone
CID 639896
1-[5-(4-Methoxyphenyl)-2-thienyl]-1-ethanone
CID 901596
1-(2-Methoxyphenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 90354454
3-Fluoro-6-thiophen-2-ylchromen-4-one
CID 146169508
(4-Methoxyphenyl)(thiophen-3-yl)methanone
CID 14639065
1-(3-(4-Methoxyphenyl)thiophen-2-yl)ethanone
CID 14710237

Frequently Asked Questions

What is the IUPAC name of (3-methoxythiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-methoxythiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 81118835) is (3-methoxythiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-methoxythiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-methoxythiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone is COc1ccsc1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (3-methoxythiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is RJIBSOIISZJSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O2S/c1-18-10-5-6-19-12(10)11(17)8-3-2-4-9(7-8)13(14,15)16/h2-7H,1H3.
What are the key properties of (3-methoxythiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone?
(3-methoxythiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 286.27 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxythiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 81118835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).