1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone

C13H8F4OS — CID 146008833

IUPAC1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C13H8F4OS/c14-8-3-4-10(11(6-8)13(15,16)17)12(18)7-9-2-1-5-19-9/h1-6H,7H2
InChIKeyLBZZOHTXUTZOPN-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.33
Rot. Bonds3

About 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone

1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone (PubChem CID 146008833) has the molecular formula C13H8F4OS and a molecular weight of 288.26 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone
PubChem CID146008833
Molecular FormulaC13H8F4OS
Molecular Weight288.26 g/mol
Exact Mass288.02
IUPAC Name1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C13H8F4OS/c14-8-3-4-10(11(6-8)13(15,16)17)12(18)7-9-2-1-5-19-9/h1-6H,7H2
InChIKeyLBZZOHTXUTZOPN-UHFFFAOYSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 730427
1-(5-Phenylthiophen-2-yl)ethan-1-one
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2-Benzoylthiophene
CID 67262
3-Acetylbenzothiophene
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(2E)-3-phenyl-1-(thiophen-2-yl)prop-2-en-1-one
CID 5702653
(2E)-2-[(Thiophen-2-YL)methylidene]-2,3-dihydro-1H-inden-1-one
CID 2305465
2-[5-(2-Fluorobenzoyl)-2-thienyl]acetonitrile
CID 2774431
3-Phenyl-1-(thien-2-yl)prop-2-en-1-one
CID 19891
2-Phenyl-1-(2-thienyl)ethanone
CID 687090
GPR52 antagonist-1
CID 156588927
2-(2-Thienylidene)-1-tetralone
CID 1810453
(2E)-2-[(3-methylthiophen-2-yl)methylidene]-3,4-dihydronaphthalen-1-one
CID 2374619

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone (CID 146008833) is 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone?
The InChIKey is LBZZOHTXUTZOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4OS/c14-8-3-4-10(11(6-8)13(15,16)17)12(18)7-9-2-1-5-19-9/h1-6H,7H2.
What are the key properties of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone?
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone has a molecular weight of 288.26 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 146008833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).