1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone

C18H12F3NOS — CID 162208800

IUPAC1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)c1ccc(-c2ccncc2)s1
InChIInChI=1S/C18H12F3NOS/c19-18(20,21)14-3-1-2-12(10-14)11-15(23)17-5-4-16(24-17)13-6-8-22-9-7-13/h1-10H,11H2
InChIKeyZSOFJQMSSZZQCZ-UHFFFAOYSA-N
MW347.36 g/mol
LogP5.25
Rot. Bonds4

About 1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone

1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 162208800) has the molecular formula C18H12F3NOS and a molecular weight of 347.36 g/mol. Its IUPAC name is 1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID162208800
Molecular FormulaC18H12F3NOS
Molecular Weight347.36 g/mol
Exact Mass347.06
IUPAC Name1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)c1ccc(-c2ccncc2)s1
InChIInChI=1S/C18H12F3NOS/c19-18(20,21)14-3-1-2-12(10-14)11-15(23)17-5-4-16(24-17)13-6-8-22-9-7-13/h1-10H,11H2
InChIKeyZSOFJQMSSZZQCZ-UHFFFAOYSA-N
XLogP5.25
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.36
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-[5-(4-hydroxyphenyl)thiophen-2-yl]ethanone
CID 160514462
1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone
CID 159241460
1-[5-(2-fluorophenyl)thiophen-2-yl]-2-pyridin-4-ylethanone
CID 161244329
phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone
CID 135016793
1-[4-(4-fluorophenyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 57090023
2,4-dioxo-4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]butanoic acid
CID 90938710
1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966350
1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116601811
1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116548555
1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 63411308
1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966369
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 74246545

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone (CID 162208800) is 1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone is O=C(Cc1cccc(C(F)(F)F)c1)c1ccc(-c2ccncc2)s1.
What is the InChIKey of 1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is ZSOFJQMSSZZQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NOS/c19-18(20,21)14-3-1-2-12(10-14)11-15(23)17-5-4-16(24-17)13-6-8-22-9-7-13/h1-10H,11H2.
What are the key properties of 1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone?
1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 347.36 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 162208800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).